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

C10H6ClNO2S — CID 13041828

IUPAC2-chloro-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Cl)nc1-c1ccccc1
InChIInChI=1S/C10H6ClNO2S/c11-10-12-7(8(15-10)9(13)14)6-4-2-1-3-5-6/h1-5H,(H,13,14)
InChIKeyRSXBHFCITNFCHP-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.16
Rot. Bonds2

About 2-chloro-4-phenyl-1,3-thiazole-5-carboxylic acid

2-chloro-4-phenyl-1,3-thiazole-5-carboxylic acid (PubChem CID 13041828) has the molecular formula C10H6ClNO2S and a molecular weight of 239.68 g/mol. Its IUPAC name is 2-chloro-4-phenyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-chloro-4-phenyl-1,3-thiazole-5-carboxylic acid
PubChem CID13041828
Molecular FormulaC10H6ClNO2S
Molecular Weight239.68 g/mol
Exact Mass238.98
IUPAC Name2-chloro-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Cl)nc1-c1ccccc1
InChIInChI=1S/C10H6ClNO2S/c11-10-12-7(8(15-10)9(13)14)6-4-2-1-3-5-6/h1-5H,(H,13,14)
InChIKeyRSXBHFCITNFCHP-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-chloro-4-phenyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-chloro-4-phenyl-1,3-thiazole-5-carboxylic acid (CID 13041828) is 2-chloro-4-phenyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-chloro-4-phenyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-chloro-4-phenyl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(Cl)nc1-c1ccccc1.
What is the InChIKey of 2-chloro-4-phenyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is RSXBHFCITNFCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2S/c11-10-12-7(8(15-10)9(13)14)6-4-2-1-3-5-6/h1-5H,(H,13,14).
What are the key properties of 2-chloro-4-phenyl-1,3-thiazole-5-carboxylic acid?
2-chloro-4-phenyl-1,3-thiazole-5-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-chloro-4-phenyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 13041828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).