2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide

C17H13ClN2O2S — CID 850702

IUPAC2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)cc1
InChIInChI=1S/C17H13ClN2O2S/c1-22-13-9-7-12(8-10-13)19-16(21)15-14(20-17(18)23-15)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,21)
InChIKeyZDHHPVIHKYAPSO-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.72
Rot. Bonds4

About 2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide

2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 850702) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID850702
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)cc1
InChIInChI=1S/C17H13ClN2O2S/c1-22-13-9-7-12(8-10-13)19-16(21)15-14(20-17(18)23-15)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,21)
InChIKeyZDHHPVIHKYAPSO-UHFFFAOYSA-N
XLogP4.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide (CID 850702) is 2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide is COc1ccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZDHHPVIHKYAPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-22-13-9-7-12(8-10-13)19-16(21)15-14(20-17(18)23-15)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,21).
What are the key properties of 2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 344.82 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 850702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).