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

C4H4ClNO2S — CID 45158343

IUPAC1,3-thiazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cscn1
InChIInChI=1S/C4H3NO2S.ClH/c6-4(7)3-1-8-2-5-3;/h1-2H,(H,6,7);1H
InChIKeyZTWPYXYQAHBWLE-UHFFFAOYSA-N
MW165.60 g/mol
LogP1.26
Rot. Bonds1

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

1,3-thiazole-4-carboxylic acid;hydrochloride (PubChem CID 45158343) has the molecular formula C4H4ClNO2S and a molecular weight of 165.60 g/mol. Its IUPAC name is 1,3-thiazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1,3-thiazole-4-carboxylic acid;hydrochloride
PubChem CID45158343
Molecular FormulaC4H4ClNO2S
Molecular Weight165.60 g/mol
Exact Mass164.97
IUPAC Name1,3-thiazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cscn1
InChIInChI=1S/C4H3NO2S.ClH/c6-4(7)3-1-8-2-5-3;/h1-2H,(H,6,7);1H
InChIKeyZTWPYXYQAHBWLE-UHFFFAOYSA-N
XLogP1.26
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.60
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Thiazolecarboxylic acid
CID 304271
2-Methyl-1,3-thiazole-4-carboxylic acid
CID 284728
2-Bromo-1,3-thiazole-4-carboxylic acid
CID 2763209
Thiazole-4-carboxylic acid hydrobromide
CID 6603305
Methyl 1,3-thiazole-4-carboxylate
CID 2773414
Ethyl 1,3-thiazole-4-carboxylate
CID 5003096
2-Acetylthiazole-4-carboxylic acid
CID 193473
2-Chloro-1,3-thiazole-4-carboxylic acid
CID 21803026
2-Formyl-1,3-thiazole-4-carboxylic acid
CID 45083946
Nsc143131
CID 10081356
2-(Aminomethyl)-1,3-thiazole-4-carboxylic acid
CID 422292
2-Iodo-1,3-thiazole-4-carboxylic acid
CID 16744289

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 1,3-thiazole-4-carboxylic acid;hydrochloride (CID 45158343) is 1,3-thiazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1,3-thiazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1,3-thiazole-4-carboxylic acid;hydrochloride is Cl.O=C(O)c1cscn1.
What is the InChIKey of 1,3-thiazole-4-carboxylic acid;hydrochloride?
The InChIKey is ZTWPYXYQAHBWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2S.ClH/c6-4(7)3-1-8-2-5-3;/h1-2H,(H,6,7);1H.
What are the key properties of 1,3-thiazole-4-carboxylic acid;hydrochloride?
1,3-thiazole-4-carboxylic acid;hydrochloride has a molecular weight of 165.60 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 45158343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).