5-chloro-1,3-thiazole-4-carboxylic acid

C4H2ClNO2S — CID 69022623

IUPAC5-chloro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1Cl
InChIInChI=1S/C4H2ClNO2S/c5-3-2(4(7)8)6-1-9-3/h1H,(H,7,8)
InChIKeyVFCFYIDCFCQUFD-UHFFFAOYSA-N
MW163.59 g/mol
LogP1.49
Rot. Bonds1

About 5-chloro-1,3-thiazole-4-carboxylic acid

5-chloro-1,3-thiazole-4-carboxylic acid (PubChem CID 69022623) has the molecular formula C4H2ClNO2S and a molecular weight of 163.59 g/mol. Its IUPAC name is 5-chloro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1,3-thiazole-4-carboxylic acid
PubChem CID69022623
Molecular FormulaC4H2ClNO2S
Molecular Weight163.59 g/mol
Exact Mass162.95
IUPAC Name5-chloro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1Cl
InChIInChI=1S/C4H2ClNO2S/c5-3-2(4(7)8)6-1-9-3/h1H,(H,7,8)
InChIKeyVFCFYIDCFCQUFD-UHFFFAOYSA-N
XLogP1.49
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.59
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 5-chlorothiazole-4-carboxylate
CID 58758599
Dichloro-1,3-thiazole-4-carboxylic acid
CID 14555326
5-Bromo-1,3-thiazole-4-carboxylic acid
CID 21297375
5-Chloro-2-methoxythiazole-4-carboxylic acid
CID 84014561
5-Fluoro-4-thiazolecarboxylic acid
CID 131560660
2-bromo-5-chloro-1,3-thiazole-4-carboxylic Acid
CID 11379522
5-Mercapto-1,3-thiazole-4-carboxylic acid
CID 15093270
Methyl 5-chlorothiazole-4-carboxylate
CID 19019277
CID 59153373
CID 59153373
5-Chloro-2-methyl-1,3-thiazole-4-carboxylic acid
CID 83683304
5-Chloro-2-methylsulfanyl-1,3-thiazole-4-carboxylic acid
CID 84781052
5-Chloro-2-iodo-1,3-thiazole-4-carboxylic acid
CID 101194382

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-chloro-1,3-thiazole-4-carboxylic acid (CID 69022623) is 5-chloro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1Cl.
What is the InChIKey of 5-chloro-1,3-thiazole-4-carboxylic acid?
The InChIKey is VFCFYIDCFCQUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClNO2S/c5-3-2(4(7)8)6-1-9-3/h1H,(H,7,8).
What are the key properties of 5-chloro-1,3-thiazole-4-carboxylic acid?
5-chloro-1,3-thiazole-4-carboxylic acid has a molecular weight of 163.59 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 69022623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).