2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide

C21H21N3O2S — CID 46478243

IUPAC2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)c2csc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C21H21N3O2S/c1-4-19(25)22-16-10-7-14(3)17(11-16)23-20(26)18-12-27-21(24-18)15-8-5-13(2)6-9-15/h5-12H,4H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyFNGWMJVXNJQCMB-UHFFFAOYSA-N
MW379.49 g/mol
LogP5.03
Rot. Bonds5

About 2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide

2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 46478243) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID46478243
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)c2csc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C21H21N3O2S/c1-4-19(25)22-16-10-7-14(3)17(11-16)23-20(26)18-12-27-21(24-18)15-8-5-13(2)6-9-15/h5-12H,4H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyFNGWMJVXNJQCMB-UHFFFAOYSA-N
XLogP5.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.49
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 171686952
N-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483
N-(1H-indol-5-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 143403398
2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55865804
N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9455109
N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 66376845
2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide
CID 131921298
N-[2-methyl-5-(propanoylamino)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 46467205
N-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 26721200
2-(3-ethoxyphenyl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 46066487
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 42092835
2-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 46570185

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide (CID 46478243) is 2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide is CCC(=O)Nc1ccc(C)c(NC(=O)c2csc(-c3ccc(C)cc3)n2)c1.
What is the InChIKey of 2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FNGWMJVXNJQCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-4-19(25)22-16-10-7-14(3)17(11-16)23-20(26)18-12-27-21(24-18)15-8-5-13(2)6-9-15/h5-12H,4H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide?
2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46478243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).