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

C4H3Cl2NO2S — CID 70024708

IUPAC2-chloro-1,3-thiazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1csc(Cl)n1
InChIInChI=1S/C4H2ClNO2S.ClH/c5-4-6-2(1-9-4)3(7)8;/h1H,(H,7,8);1H
InChIKeyDSKARTUPESYKRE-UHFFFAOYSA-N
MW200.05 g/mol
LogP1.92
Rot. Bonds1

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

2-chloro-1,3-thiazole-4-carboxylic acid;hydrochloride (PubChem CID 70024708) has the molecular formula C4H3Cl2NO2S and a molecular weight of 200.05 g/mol. Its IUPAC name is 2-chloro-1,3-thiazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-chloro-1,3-thiazole-4-carboxylic acid;hydrochloride
PubChem CID70024708
Molecular FormulaC4H3Cl2NO2S
Molecular Weight200.05 g/mol
Exact Mass198.93
IUPAC Name2-chloro-1,3-thiazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1csc(Cl)n1
InChIInChI=1S/C4H2ClNO2S.ClH/c5-4-6-2(1-9-4)3(7)8;/h1H,(H,7,8);1H
InChIKeyDSKARTUPESYKRE-UHFFFAOYSA-N
XLogP1.92
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.05
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-thiazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-chloro-1,3-thiazole-4-carboxylic acid;hydrochloride (CID 70024708) is 2-chloro-1,3-thiazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-chloro-1,3-thiazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-chloro-1,3-thiazole-4-carboxylic acid;hydrochloride is Cl.O=C(O)c1csc(Cl)n1.
What is the InChIKey of 2-chloro-1,3-thiazole-4-carboxylic acid;hydrochloride?
The InChIKey is DSKARTUPESYKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClNO2S.ClH/c5-4-6-2(1-9-4)3(7)8;/h1H,(H,7,8);1H.
What are the key properties of 2-chloro-1,3-thiazole-4-carboxylic acid;hydrochloride?
2-chloro-1,3-thiazole-4-carboxylic acid;hydrochloride has a molecular weight of 200.05 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-thiazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 70024708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).