4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide

C27H25N3O2S — CID 93306639

IUPAC4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
SMILESCc1ccc(C(=O)/N=c2\sccn2Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H25N3O2S/c1-19-8-12-23(13-9-19)26(32)29-27-30(16-17-33-27)18-21-10-14-24(15-11-21)25(31)28-20(2)22-6-4-3-5-7-22/h3-17,20H,18H2,1-2H3,(H,28,31)/b29-27-/t20-/m0/s1
InChIKeyBVOGXJSZTIKXCU-LTXAWKRRSA-N
MW455.58 g/mol
LogP5.14
Rot. Bonds6

About 4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide

4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide (PubChem CID 93306639) has the molecular formula C27H25N3O2S and a molecular weight of 455.58 g/mol. Its IUPAC name is 4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
PubChem CID93306639
Molecular FormulaC27H25N3O2S
Molecular Weight455.58 g/mol
Exact Mass455.17
IUPAC Name4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
SMILESCc1ccc(C(=O)/N=c2\sccn2Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H25N3O2S/c1-19-8-12-23(13-9-19)26(32)29-27-30(16-17-33-27)18-21-10-14-24(15-11-21)25(31)28-20(2)22-6-4-3-5-7-22/h3-17,20H,18H2,1-2H3,(H,28,31)/b29-27-/t20-/m0/s1
InChIKeyBVOGXJSZTIKXCU-LTXAWKRRSA-N
XLogP5.14
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 7930627
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 16546204
3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 46137185
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide
CID 24660441
N-[4,5-dimethyl-3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide
CID 97413846
1-(3-benzyl-1,3-thiazol-2-ylidene)-3-propan-2-ylthiourea
CID 9098389
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-oxo-3H-phthalazine-1-carboxamide
CID 24653558
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 154858750
N-[(1S)-2,2-dichloro-1-phenylethyl]-4-methylbenzamide
CID 2303417

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide (CID 93306639) is 4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide is Cc1ccc(C(=O)/N=c2\sccn2Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is BVOGXJSZTIKXCU-LTXAWKRRSA-N. The full InChI is InChI=1S/C27H25N3O2S/c1-19-8-12-23(13-9-19)26(32)29-27-30(16-17-33-27)18-21-10-14-24(15-11-21)25(31)28-20(2)22-6-4-3-5-7-22/h3-17,20H,18H2,1-2H3,(H,28,31)/b29-27-/t20-/m0/s1.
What are the key properties of 4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 455.58 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 93306639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).