3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]benzamide

C27H25N3O2S — CID 164623017

IUPAC3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]benzamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Nc2nc(-c3ccccc3)c(C)s2)c1
InChIInChI=1S/C27H25N3O2S/c1-18(31)24(16-20-10-5-3-6-11-20)29-26(32)22-14-9-15-23(17-22)28-27-30-25(19(2)33-27)21-12-7-4-8-13-21/h3-15,17,24H,16H2,1-2H3,(H,28,30)(H,29,32)/t24-/m0/s1
InChIKeyIOPPDVDHTJMEBL-DEOSSOPVSA-N
MW455.58 g/mol
LogP5.79
Rot. Bonds8

About 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]benzamide

3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]benzamide (PubChem CID 164623017) has the molecular formula C27H25N3O2S and a molecular weight of 455.58 g/mol. Its IUPAC name is 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]benzamide
PubChem CID164623017
Molecular FormulaC27H25N3O2S
Molecular Weight455.58 g/mol
Exact Mass455.17
IUPAC Name3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]benzamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Nc2nc(-c3ccccc3)c(C)s2)c1
InChIInChI=1S/C27H25N3O2S/c1-18(31)24(16-20-10-5-3-6-11-20)29-26(32)22-14-9-15-23(17-22)28-27-30-25(19(2)33-27)21-12-7-4-8-13-21/h3-15,17,24H,16H2,1-2H3,(H,28,30)(H,29,32)/t24-/m0/s1
InChIKeyIOPPDVDHTJMEBL-DEOSSOPVSA-N
XLogP5.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]benzamide with MolForge

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Related Compounds

(2S)-2-[[3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]benzoyl]amino]-3-phenylpropanoic acid
CID 164618237
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CID 164624853
2-[[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzoyl]amino]-3-phenylpropanoic acid
CID 108808375
N-[1-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4842765
3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 868794
N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 53387374
4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059125
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727023
N-[1-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide
CID 5187647
4-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46119473
1-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide
CID 159069154
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634196

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]benzamide?
The IUPAC name of 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]benzamide (CID 164623017) is 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]benzamide?
The canonical SMILES for 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]benzamide is CC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Nc2nc(-c3ccccc3)c(C)s2)c1.
What is the InChIKey of 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]benzamide?
The InChIKey is IOPPDVDHTJMEBL-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H25N3O2S/c1-18(31)24(16-20-10-5-3-6-11-20)29-26(32)22-14-9-15-23(17-22)28-27-30-25(19(2)33-27)21-12-7-4-8-13-21/h3-15,17,24H,16H2,1-2H3,(H,28,30)(H,29,32)/t24-/m0/s1.
What are the key properties of 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]benzamide?
3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]benzamide has a molecular weight of 455.58 g/mol, XLogP of 5.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 164623017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).