2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid

C14H8ClNO2S2 — CID 64715806

IUPAC2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)s2)sc1-c1ccccc1
InChIInChI=1S/C14H8ClNO2S2/c15-10-7-6-9(19-10)13-16-11(14(17)18)12(20-13)8-4-2-1-3-5-8/h1-7H,(H,17,18)
InChIKeyIAEVLOVNWRSDSF-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.89
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid

2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid (PubChem CID 64715806) has the molecular formula C14H8ClNO2S2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
PubChem CID64715806
Molecular FormulaC14H8ClNO2S2
Molecular Weight321.81 g/mol
Exact Mass320.97
IUPAC Name2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)s2)sc1-c1ccccc1
InChIInChI=1S/C14H8ClNO2S2/c15-10-7-6-9(19-10)13-16-11(14(17)18)12(20-13)8-4-2-1-3-5-8/h1-7H,(H,17,18)
InChIKeyIAEVLOVNWRSDSF-UHFFFAOYSA-N
XLogP4.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid (CID 64715806) is 2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid is O=C(O)c1nc(-c2ccc(Cl)s2)sc1-c1ccccc1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is IAEVLOVNWRSDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO2S2/c15-10-7-6-9(19-10)13-16-11(14(17)18)12(20-13)8-4-2-1-3-5-8/h1-7H,(H,17,18).
What are the key properties of 2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 321.81 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64715806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).