N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide

C25H22N2OS — CID 43951129

IUPACN-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nc(-c3ccc(Cc4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C25H22N2OS/c1-18-7-9-21(10-8-18)16-24(28)27-25-26-23(17-29-25)22-13-11-20(12-14-22)15-19-5-3-2-4-6-19/h2-14,17H,15-16H2,1H3,(H,26,27,28)
InChIKeyVEOVDZVMMJAYOU-UHFFFAOYSA-N
MW398.53 g/mol
LogP5.89
Rot. Bonds6

About N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide

N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide (PubChem CID 43951129) has the molecular formula C25H22N2OS and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
PubChem CID43951129
Molecular FormulaC25H22N2OS
Molecular Weight398.53 g/mol
Exact Mass398.15
IUPAC NameN-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nc(-c3ccc(Cc4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C25H22N2OS/c1-18-7-9-21(10-8-18)16-24(28)27-25-26-23(17-29-25)22-13-11-20(12-14-22)15-19-5-3-2-4-6-19/h2-14,17H,15-16H2,1H3,(H,26,27,28)
InChIKeyVEOVDZVMMJAYOU-UHFFFAOYSA-N
XLogP5.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.53
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 41145879
2-(4-methylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 43951124
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951183
S-[2-[[4-(4-benzylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] ethanethioate
CID 16949174
methyl 4-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]benzoate
CID 43951125
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 24568469
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 3414920
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55487125
2-(2,6-dichlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7948094

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide (CID 43951129) is N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2nc(-c3ccc(Cc4ccccc4)cc3)cs2)cc1.
What is the InChIKey of N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is VEOVDZVMMJAYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2OS/c1-18-7-9-21(10-8-18)16-24(28)27-25-26-23(17-29-25)22-13-11-20(12-14-22)15-19-5-3-2-4-6-19/h2-14,17H,15-16H2,1H3,(H,26,27,28).
What are the key properties of N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide?
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 398.53 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 43951129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).