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

C10H7ClN2O2S — CID 42876704

IUPAC2-(3-chloroanilino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C10H7ClN2O2S/c11-6-2-1-3-7(4-6)12-10-13-8(5-16-10)9(14)15/h1-5H,(H,12,13)(H,14,15)
InChIKeyYYSATCIKIHUSJE-UHFFFAOYSA-N
MW254.70 g/mol
LogP3.24
Rot. Bonds3

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

2-(3-chloroanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 42876704) has the molecular formula C10H7ClN2O2S and a molecular weight of 254.70 g/mol. Its IUPAC name is 2-(3-chloroanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloroanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID42876704
Molecular FormulaC10H7ClN2O2S
Molecular Weight254.70 g/mol
Exact Mass253.99
IUPAC Name2-(3-chloroanilino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C10H7ClN2O2S/c11-6-2-1-3-7(4-6)12-10-13-8(5-16-10)9(14)15/h1-5H,(H,12,13)(H,14,15)
InChIKeyYYSATCIKIHUSJE-UHFFFAOYSA-N
XLogP3.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-chloroanilino)-1,3-thiazole-4-carboxylic acid (CID 42876704) is 2-(3-chloroanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-chloroanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-chloroanilino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chloroanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is YYSATCIKIHUSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2S/c11-6-2-1-3-7(4-6)12-10-13-8(5-16-10)9(14)15/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 2-(3-chloroanilino)-1,3-thiazole-4-carboxylic acid?
2-(3-chloroanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 254.70 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 42876704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).