N-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide

C25H22N2OS — CID 1175892

IUPACN-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2csc(N(Cc3ccccc3)C(=O)c3ccccc3C)n2)cc1
InChIInChI=1S/C25H22N2OS/c1-18-12-14-21(15-13-18)23-17-29-25(26-23)27(16-20-9-4-3-5-10-20)24(28)22-11-7-6-8-19(22)2/h3-15,17H,16H2,1-2H3
InChIKeyWSPFUMVURHJSLC-UHFFFAOYSA-N
MW398.53 g/mol
LogP6.27
Rot. Bonds5

About N-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide

N-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 1175892) has the molecular formula C25H22N2OS and a molecular weight of 398.53 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID1175892
Molecular FormulaC25H22N2OS
Molecular Weight398.53 g/mol
Exact Mass398.15
IUPAC NameN-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2csc(N(Cc3ccccc3)C(=O)c3ccccc3C)n2)cc1
InChIInChI=1S/C25H22N2OS/c1-18-12-14-21(15-13-18)23-17-29-25(26-23)27(16-20-9-4-3-5-10-20)24(28)22-11-7-6-8-19(22)2/h3-15,17H,16H2,1-2H3
InChIKeyWSPFUMVURHJSLC-UHFFFAOYSA-N
XLogP6.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.53
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1374213
N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1139470
2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1175912
N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1172662
diethyl-[3-[(2-methylbenzoyl)-(4-phenyl-1,3-thiazol-2-yl)amino]propyl]azanium
CID 7124820
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-(2-methylbenzoyl)amino]propyl-dimethylazanium
CID 7130234
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide
CID 857526
N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3173507
2-methyl-5-methylsulfonyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 55371823
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675971
[2-[benzyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2463752
N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 39991108

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (CID 1175892) is N-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is Cc1ccc(-c2csc(N(Cc3ccccc3)C(=O)c3ccccc3C)n2)cc1.
What is the InChIKey of N-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is WSPFUMVURHJSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2OS/c1-18-12-14-21(15-13-18)23-17-29-25(26-23)27(16-20-9-4-3-5-10-20)24(28)22-11-7-6-8-19(22)2/h3-15,17H,16H2,1-2H3.
What are the key properties of N-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
N-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 398.53 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1175892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).