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CAS 1025700-49-5 5-broMo-4-isopropylthiazol-2-aMine molecular structure lightbox
CAS RN: 1025700-49-5

5-broMo-4-isopropylthiazol-2-aMine

  • Product code: SSC-003821
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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: 1g, 5g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1025700-49-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Shanghai Inquiry
5g ≥95% 4 In Stock Beijing Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry

1025700-49-5 / 5-bromo-4-propan-2-yl-1,3-thiazol-2-amine

5-bromo-4-isopropylthiazol-2-amine | 2-amino-5-bromo-4-isopropylthiazole | 2-Thiazolamine, 5-bromo-4-(1-methylethyl)-

Standard CAS: 1025700-49-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1025700-49-5
Multi CAS
Yes
Molecular Formula
C6H9BrN2S
Molecular Weight
221.120000
Exact Mass
219.966980
SMILES
CC(C)C1=C(SC(=N1)N)Br
InChI
InChI=1S/C6H9BrN2S/c1-3(2)4-5(7)10-6(8)9-4/h3H,1-2H3,(H2,8,9)
InChIKey
PLPKYAYJIVQOEL-UHFFFAOYSA-N
Synonyms
5-bromo-4-isopropylthiazol-2-amine 2-amino-5-bromo-4-isopropylthiazole 2-Thiazolamine, 5-bromo-4-(1-methylethyl)- MFCD09834790 5-Bromo-4-propan-2-yl-1,3-thiazol-2-amine

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.32
TPSA
38.91

LogP / Solubility

WLOGP
2.61
MLOGP
2.3
XLogP3
2.8
Consensus LogP
2.57
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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