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CAS 475661-63-3 2-Amino-4-hydroxythiazole molecular structure lightbox
CAS RN: 475661-63-3

2-Amino-4-hydroxythiazole

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9 package records9 with current stock2 grade groups
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  • Product code: starshine_CAS475661-63-3
  • Purity/Analytical Methods: >99.0%
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475661-63-3 / 2-amino-1,3-thiazol-4-ol

Standard CAS: 475661-63-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
475661-63-3
Multi CAS
Yes
Molecular Formula
C3H4N2OS
Molecular Weight
116.140000
Exact Mass
116.004434
InChI
InChI=1S/C3H4N2OS/c4-3-5-2(6)1-7-3/h1,6H,(H2,4,5)
InChIKey
BGIZWGFKUMPOAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
28.19
TPSA
59.14

LogP / Solubility

WLOGP
0.43
MLOGP
0.37
XLogP3
0.6
Consensus LogP
0.47
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
Class (SILICOS-IT)
Very 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)
-3.12

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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