2-(3-chlorophenyl)-1,3-thiazole-4-carboxylic acid

C10H6ClNO2S — CID 2794667

IUPAC2-(3-chlorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C10H6ClNO2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14)
InChIKeyDNSCDQVZFMLMAD-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.16
Rot. Bonds2

About 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylic acid

2-(3-chlorophenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 2794667) has the molecular formula C10H6ClNO2S and a molecular weight of 239.68 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID2794667
Molecular FormulaC10H6ClNO2S
Molecular Weight239.68 g/mol
Exact Mass238.98
IUPAC Name2-(3-chlorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C10H6ClNO2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14)
InChIKeyDNSCDQVZFMLMAD-UHFFFAOYSA-N
XLogP3.16
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylic acid (CID 2794667) is 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is DNSCDQVZFMLMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14).
What are the key properties of 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylic acid?
2-(3-chlorophenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 239.68 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 2794667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).