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CAS 53483-97-9 3-Methyl-1,2-thiazol-4-aMine molecular structure lightbox
CAS RN: 53483-97-9

3-Methyl-1,2-thiazol-4-aMine

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Batchno.20250322 100mg Out of stock Inquiry
  • Product code: starshine_CAS53483-97-9
  • Purity/Analytical Methods: >99.0%
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53483-97-9 / 3-methyl-1,2-thiazol-4-amine

Standard CAS: 53483-97-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53483-97-9
Multi CAS
No
Molecular Formula
C4H6N2S
Molecular Weight
114.170000
Exact Mass
114.025169
InChI
InChI=1S/C4H6N2S/c1-3-4(5)2-7-6-3/h2H,5H2,1H3
InChIKey
OENNKQQMHQUBLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.26
TPSA
38.91

LogP / Solubility

WLOGP
1.03
MLOGP
0.9
XLogP3
0.7
Consensus LogP
0.88
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
Class (SILICOS-IT)
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)
-2.68

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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