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CAS 1048007-94-8 N-(2-Methyl-5-nitrophenyl)-4-(3-pyridinyl)-2-thiazolamine molecular structure lightbox
CAS RN: 1048007-94-8

N-(2-Methyl-5-nitrophenyl)-4-(3-pyridinyl)-2-thiazolamine

  • Product code: SSC-006538
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 1g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1048007-94-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
10g ≥95% 1 In Stock Shanghai Inquiry

1048007-94-8 / N-(2-methyl-5-nitrophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine

N-(2-Methyl-5-nitrophenyl)-4-(3-pyridinyl)-2-thiazolamine | N-(2-METHYL-5-NITROPHENYL)-4-(PYRIDIN-3-YL)-1,3-THIAZOL-2-AMINE | EC 700-564-4

Standard CAS: 1048007-94-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1048007-94-8
Multi CAS
No
Molecular Formula
C15H12N4O2S
Molecular Weight
312.300000
Exact Mass
312.068097
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NC(=CS2)C3=CN=CC=C3
InChI
InChI=1S/C15H12N4O2S/c1-10-4-5-12(19(20)21)7-13(10)17-15-18-14(9-22-15)11-3-2-6-16-8-11/h2-9H,1H3,(H,17,18)
InChIKey
SDDODIFTQFSODB-UHFFFAOYSA-N
Synonyms
N-(2-Methyl-5-nitrophenyl)-4-(3-pyridinyl)-2-thiazolamine N-(2-METHYL-5-NITROPHENYL)-4-(PYRIDIN-3-YL)-1,3-THIAZOL-2-AMINE EC 700-564-4 DTXSID00658045 RefChem:825601

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
86.46
TPSA
80.95

LogP / Solubility

WLOGP
4.17
MLOGP
3.68
XLogP3
3.6
Consensus LogP
3.82
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H351 (100%): Suspected of causing cancer [Warning Carcinogenicity] H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501

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