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

C17H13ClN2O2S — CID 55704407

IUPACN-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H13ClN2O2S/c1-22-14-8-7-12(18)9-13(14)20-16(21)15-10-19-17(23-15)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,21)
InChIKeyYBBFXJYRWZUZJB-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.72
Rot. Bonds4

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

N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 55704407) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID55704407
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H13ClN2O2S/c1-22-14-8-7-12(18)9-13(14)20-16(21)15-10-19-17(23-15)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,21)
InChIKeyYBBFXJYRWZUZJB-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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Related Compounds

N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 46460468
N-(2-ethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 86997626
N-(2,5-dimethylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 46484824
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 17252987
1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 20896160
N-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846561
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110650167
5-chloro-N-(5-chloro-2-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625735
6-N-(5-chloro-2-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099986
5-chloro-2-methoxy-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45013631
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
5-amino-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81319684

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide (CID 55704407) is N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is YBBFXJYRWZUZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-22-14-8-7-12(18)9-13(14)20-16(21)15-10-19-17(23-15)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-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 N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55704407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).