2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide

C27H25N3O2S — CID 55729692

IUPAC2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H25N3O2S/c1-18-13-15-21(16-14-18)25-23(33-19(2)28-25)17-24(31)30-26(20-9-5-3-6-10-20)27(32)29-22-11-7-4-8-12-22/h3-16,26H,17H2,1-2H3,(H,29,32)(H,30,31)
InChIKeySLYVBRRZCCIPIS-UHFFFAOYSA-N
MW455.58 g/mol
LogP5.47
Rot. Bonds7

About 2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide

2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide (PubChem CID 55729692) has the molecular formula C27H25N3O2S and a molecular weight of 455.58 g/mol. Its IUPAC name is 2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide
PubChem CID55729692
Molecular FormulaC27H25N3O2S
Molecular Weight455.58 g/mol
Exact Mass455.17
IUPAC Name2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H25N3O2S/c1-18-13-15-21(16-14-18)25-23(33-19(2)28-25)17-24(31)30-26(20-9-5-3-6-10-20)27(32)29-22-11-7-4-8-12-22/h3-16,26H,17H2,1-2H3,(H,29,32)(H,30,31)
InChIKeySLYVBRRZCCIPIS-UHFFFAOYSA-N
XLogP5.47
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2461104
N-(4-fluorophenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26915494
N-[4-(methylcarbamoylamino)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 46603407
N-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26736483
2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate
CID 7303255
2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-N,2-diphenylacetamide
CID 86900818
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 26362303
(2R)-N-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-2-phenylacetamide
CID 71906698
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(3-nitrophenyl)acetamide
CID 26574704
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 4857721
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 29435720
N-(2-ethoxyphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26736248

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide?
The IUPAC name of 2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide (CID 55729692) is 2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide.
What is the SMILES notation for 2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide?
The canonical SMILES for 2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide is Cc1ccc(-c2nc(C)sc2CC(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide?
The InChIKey is SLYVBRRZCCIPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2S/c1-18-13-15-21(16-14-18)25-23(33-19(2)28-25)17-24(31)30-26(20-9-5-3-6-10-20)27(32)29-22-11-7-4-8-12-22/h3-16,26H,17H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of 2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide?
2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide has a molecular weight of 455.58 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide is sourced from PubChem (CID 55729692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).