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

C5H5Cl2NO2S — CID 67684501

IUPAC2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
SMILESCc1nc(Cl)sc1C(=O)O.Cl
InChIInChI=1S/C5H4ClNO2S.ClH/c1-2-3(4(8)9)10-5(6)7-2;/h1H3,(H,8,9);1H
InChIKeyXTWJGAMOONIFLL-UHFFFAOYSA-N
MW214.07 g/mol
LogP2.22
Rot. Bonds1

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

2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride (PubChem CID 67684501) has the molecular formula C5H5Cl2NO2S and a molecular weight of 214.07 g/mol. Its IUPAC name is 2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
PubChem CID67684501
Molecular FormulaC5H5Cl2NO2S
Molecular Weight214.07 g/mol
Exact Mass212.94
IUPAC Name2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
SMILESCc1nc(Cl)sc1C(=O)O.Cl
InChIInChI=1S/C5H4ClNO2S.ClH/c1-2-3(4(8)9)10-5(6)7-2;/h1H3,(H,8,9);1H
InChIKeyXTWJGAMOONIFLL-UHFFFAOYSA-N
XLogP2.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one
CID 171593762
aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone
CID 130629090
2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane
CID 143933494
2-acetyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 71522241
2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 107124586
2-(1,1-difluoroethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 146589738
2-(carboxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154755
2-(3-amino-4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 82545832
2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide
CID 91821812
2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106817940
2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765645

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride (CID 67684501) is 2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride is Cc1nc(Cl)sc1C(=O)O.Cl.
What is the InChIKey of 2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
The InChIKey is XTWJGAMOONIFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO2S.ClH/c1-2-3(4(8)9)10-5(6)7-2;/h1H3,(H,8,9);1H.
What are the key properties of 2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride has a molecular weight of 214.07 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 67684501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).