CAS 14190-59-1 THIAZOLE-2-CARBOXYLIC ACID molecular structure

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CAS RN: 14190-59-1

THIAZOLE-2-CARBOXYLIC ACID

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Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20260529	100g	In stock	Shanghai	Inquiry
Batchno.20260603	10g	In stock	Shanghai, Shenzhen, Chengdu	Inquiry
Batchno.20251030	1g	In stock	Shanghai, Shenzhen, Tianjin, Wuhan	Inquiry
Batchno.20250422	25g	In stock	Shanghai, Tianjin	Inquiry
Batchno.20250220	500g	In stock	Shanghai	Inquiry
Batchno.20250209	5g	In stock	Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu	Inquiry

Product code: starshine_CAS14190-59-1
Purity/Analytical Methods: >99.0%

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14190-59-1 / 1,3-thiazole-2-carboxylic acid

Standard CAS: 14190-59-1 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

14190-59-1

Multi CAS

Molecular Formula

C4H3NO2S

Molecular Weight

129.140000

Exact Mass

128.988450

SMILES

C1=CSC(=N1)C(=O)O

InChI

InChI=1S/C4H3NO2S/c6-4(7)3-5-1-2-8-3/h1-2H,(H,6,7)

InChIKey

IJVLVRYLIMQVDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

29.07

TPSA

50.19

LogP / Solubility

WLOGP

0.84

MLOGP

0.73

XLogP3

0.8

Consensus LogP

0.79

Log S (ESOL)

-1.57

Class (ESOL)

Soluble

Log S (Ali)

-1.23

Class (Ali)

Soluble

Log S (SILICOS-IT)

-1.32

Class (SILICOS-IT)

Soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.91

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H302 (75%): 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