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CAS 1404373-74-5 5-AMinothiazole-2-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 1404373-74-5

5-AMinothiazole-2-carboxylic acid hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250511 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1404373-74-5
  • Purity/Analytical Methods: >99.0%
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1404373-74-5 / 5-amino-1,3-thiazole-2-carboxylic acid;hydrochloride

Standard CAS: 1404373-74-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1404373-74-5
Multi CAS
No
Molecular Formula
C4H5ClN2O2S
Molecular Weight
180.610000
Exact Mass
179.976026
SMILES
C1=C(SC(=N1)C(=O)O)N.Cl
InChI
InChI=1S/C4H4N2O2S.ClH/c5-2-1-6-3(9-2)4(7)8;/h1H,5H2,(H,7,8);1H
InChIKey
BPQBIOGFEKIEFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.73
TPSA
76.21

LogP / Solubility

WLOGP
0.85
MLOGP
0.74
XLogP3
0.85
Consensus LogP
0.81
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.22

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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