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CAS 101967-39-9 4-(2,5-DIMETHYL-PHENYL)-THIAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 101967-39-9

4-(2,5-DIMETHYL-PHENYL)-THIAZOL-2-YLAMINE

  • Product code: SSC-003120
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 101967-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

101967-39-9 / 4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine

4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine | DTXSID50352723 | RefChem:286924

Standard CAS: 101967-39-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101967-39-9
Multi CAS
No
Molecular Formula
C11H12N2S
Molecular Weight
204.290000
Exact Mass
204.072120
SMILES
CC1=CC(=C(C=C1)C)C2=CSC(=N2)N
InChI
InChI=1S/C11H12N2S/c1-7-3-4-8(2)9(5-7)10-6-14-11(12)13-10/h3-6H,1-2H3,(H2,12,13)
InChIKey
XMAIQILQRXZWMI-UHFFFAOYSA-N
Synonyms
4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine DTXSID50352723 RefChem:286924 DTXCID80303788 672-129-6

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.44
TPSA
38.91

LogP / Solubility

WLOGP
3.01
MLOGP
2.65
XLogP3
3
Consensus LogP
2.89
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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