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

C20H18ClN3O2S — CID 24673326

IUPACN-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)c1C
InChIInChI=1S/C20H18ClN3O2S/c1-11-16(23-13(3)25)8-5-9-17(11)24-19(26)18-12(2)22-20(27-18)14-6-4-7-15(21)10-14/h4-10H,1-3H3,(H,23,25)(H,24,26)
InChIKeyACBGDHJVZPMTAH-UHFFFAOYSA-N
MW399.90 g/mol
LogP5.29
Rot. Bonds4

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

N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24673326) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24673326
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC NameN-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)c1C
InChIInChI=1S/C20H18ClN3O2S/c1-11-16(23-13(3)25)8-5-9-17(11)24-19(26)18-12(2)22-20(27-18)14-6-4-7-15(21)10-14/h4-10H,1-3H3,(H,23,25)(H,24,26)
InChIKeyACBGDHJVZPMTAH-UHFFFAOYSA-N
XLogP5.29
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.90
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(3-chlorophenyl)-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide
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2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide
CID 51205742
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 24673326) is N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is CC(=O)Nc1cccc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)c1C.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ACBGDHJVZPMTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-11-16(23-13(3)25)8-5-9-17(11)24-19(26)18-12(2)22-20(27-18)14-6-4-7-15(21)10-14/h4-10H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 399.90 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24673326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).