N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide

C19H16ClN3O3S — CID 42092835

IUPACN-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H16ClN3O3S/c1-11(24)21-14-7-8-17(26-2)15(9-14)22-18(25)16-10-27-19(23-16)12-3-5-13(20)6-4-12/h3-10H,1-2H3,(H,21,24)(H,22,25)
InChIKeyPYRUXJJGKMOOLG-UHFFFAOYSA-N
MW401.88 g/mol
LogP4.68
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide

N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 42092835) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID42092835
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H16ClN3O3S/c1-11(24)21-14-7-8-17(26-2)15(9-14)22-18(25)16-10-27-19(23-16)12-3-5-13(20)6-4-12/h3-10H,1-2H3,(H,21,24)(H,22,25)
InChIKeyPYRUXJJGKMOOLG-UHFFFAOYSA-N
XLogP4.68
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 60597278
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110650167
2-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 55433666
2-(4-chlorophenyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 134030235
N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110409324
N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 120617186
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16821159
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55725770
N-(3-acetamido-4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 33311200
N-(4-acetamido-3-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 87001763
N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948902
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 156859744

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide (CID 42092835) is N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PYRUXJJGKMOOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-11(24)21-14-7-8-17(26-2)15(9-14)22-18(25)16-10-27-19(23-16)12-3-5-13(20)6-4-12/h3-10H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 401.88 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42092835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).