4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide

C25H22N2OS — CID 4220609

IUPAC4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3ccc(-c4ccccc4)cc3)n2)c(C)c1
InChIInChI=1S/C25H22N2OS/c1-16-13-17(2)23(18(3)14-16)22-15-29-25(26-22)27-24(28)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-15H,1-3H3,(H,26,27,28)
InChIKeyLMMPHBZHVRRFEI-UHFFFAOYSA-N
MW398.53 g/mol
LogP6.65
Rot. Bonds4

About 4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide

4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4220609) has the molecular formula C25H22N2OS and a molecular weight of 398.53 g/mol. Its IUPAC name is 4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID4220609
Molecular FormulaC25H22N2OS
Molecular Weight398.53 g/mol
Exact Mass398.15
IUPAC Name4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3ccc(-c4ccccc4)cc3)n2)c(C)c1
InChIInChI=1S/C25H22N2OS/c1-16-13-17(2)23(18(3)14-16)22-15-29-25(26-22)27-24(28)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-15H,1-3H3,(H,26,27,28)
InChIKeyLMMPHBZHVRRFEI-UHFFFAOYSA-N
XLogP6.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.53
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen
CID 144822338
N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide
CID 58442475
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 2122558
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 152683928
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
1-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2H-isoquinoline-3-carboxamide
CID 9022855
N-[4-(4-hydroxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 86690827

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide (CID 4220609) is 4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide is Cc1cc(C)c(-c2csc(NC(=O)c3ccc(-c4ccccc4)cc3)n2)c(C)c1.
What is the InChIKey of 4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is LMMPHBZHVRRFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2OS/c1-16-13-17(2)23(18(3)14-16)22-15-29-25(26-22)27-24(28)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-15H,1-3H3,(H,26,27,28).
What are the key properties of 4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 398.53 g/mol, XLogP of 6.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4220609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).