2,5-dimethyl-1,3-thiazole-4-carboxylic acid;hydrochloride

C6H8ClNO2S — CID 75525677

IUPAC2,5-dimethyl-1,3-thiazole-4-carboxylic acid;hydrochloride
SMILESCc1nc(C(=O)O)c(C)s1.Cl
InChIInChI=1S/C6H7NO2S.ClH/c1-3-5(6(8)9)7-4(2)10-3;/h1-2H3,(H,8,9);1H
InChIKeyASFFKQYQZGIQBX-UHFFFAOYSA-N
MW193.65 g/mol
LogP1.88
Rot. Bonds1

About 2,5-dimethyl-1,3-thiazole-4-carboxylic acid;hydrochloride

2,5-dimethyl-1,3-thiazole-4-carboxylic acid;hydrochloride (PubChem CID 75525677) has the molecular formula C6H8ClNO2S and a molecular weight of 193.65 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-thiazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-1,3-thiazole-4-carboxylic acid;hydrochloride
PubChem CID75525677
Molecular FormulaC6H8ClNO2S
Molecular Weight193.65 g/mol
Exact Mass193.00
IUPAC Name2,5-dimethyl-1,3-thiazole-4-carboxylic acid;hydrochloride
SMILESCc1nc(C(=O)O)c(C)s1.Cl
InChIInChI=1S/C6H7NO2S.ClH/c1-3-5(6(8)9)7-4(2)10-3;/h1-2H3,(H,8,9);1H
InChIKeyASFFKQYQZGIQBX-UHFFFAOYSA-N
XLogP1.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.65
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl-1,3-thiazole-5-carboxylic acid
CID 736488
2-Chloro-4-methyl-1,3-thiazole-5-carboxylic acid
CID 666960
2-Ethyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 13835292
4-Methyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 13835293
Dimethyl-1,3-thiazole-4-carboxylic acid
CID 13835313
4-Methyl-2-(propan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 15093930
5-Methyl-1,3-thiazole-4-carboxylic acid
CID 14109320
2-Tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
2-(Methoxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20088075
2-Butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39870055
2-Bromo-5-methyl-1,3-thiazole-4-carboxylic acid
CID 53445893
2-(Ethoxycarbonyl)-4-methylthiazole-5-carboxylic acid
CID 57571640

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-thiazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 2,5-dimethyl-1,3-thiazole-4-carboxylic acid;hydrochloride (CID 75525677) is 2,5-dimethyl-1,3-thiazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-1,3-thiazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2,5-dimethyl-1,3-thiazole-4-carboxylic acid;hydrochloride is Cc1nc(C(=O)O)c(C)s1.Cl.
What is the InChIKey of 2,5-dimethyl-1,3-thiazole-4-carboxylic acid;hydrochloride?
The InChIKey is ASFFKQYQZGIQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S.ClH/c1-3-5(6(8)9)7-4(2)10-3;/h1-2H3,(H,8,9);1H.
What are the key properties of 2,5-dimethyl-1,3-thiazole-4-carboxylic acid;hydrochloride?
2,5-dimethyl-1,3-thiazole-4-carboxylic acid;hydrochloride has a molecular weight of 193.65 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-thiazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 75525677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).