CAS RN: 79147-04-9

2-Thiazolamine, N-(cyclopropylmethyl)-

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  • Product code: starshine_CAS79147-04-9
  • Purity/Analytical Methods: >99.0%
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79147-04-9 / N-(cyclopropylmethyl)-1,3-thiazol-2-amine

Standard CAS: 79147-04-9 Multi CAS: No

Basic Information

CAS
79147-04-9
Multi CAS
No
Molecular Formula
C7H10N2S
Molecular Weight
154.240000
Exact Mass
154.056470
InChI
InChI=1S/C7H10N2S/c1-2-6(1)5-9-7-8-3-4-10-7/h3-4,6H,1-2,5H2,(H,8,9)
InChIKey
PSOFAXPWEITBPG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.33
TPSA
24.92

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
2
Consensus LogP
1.89
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately 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)
-2.27

Drug-likeness / Medicinal Chemistry

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

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