(4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide

C27H26N2O4S — CID 126213988

IUPAC(4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide
SMILESCOc1ccc(-c2nc(NC(=O)CC[C@H](O)c3ccccc3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H26N2O4S/c1-32-21-12-8-19(9-13-21)25-26(20-10-14-22(33-2)15-11-20)34-27(29-25)28-24(31)17-16-23(30)18-6-4-3-5-7-18/h3-15,23,30H,16-17H2,1-2H3,(H,28,29,31)/t23-/m0/s1
InChIKeyZSTWTHJQQRNDTO-QHCPKHFHSA-N
MW474.58 g/mol
LogP5.95
Rot. Bonds9

About (4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide

(4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide (PubChem CID 126213988) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is (4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide.

Molecular Properties

Compound Name(4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide
PubChem CID126213988
Molecular FormulaC27H26N2O4S
Molecular Weight474.58 g/mol
Exact Mass474.16
IUPAC Name(4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide
SMILESCOc1ccc(-c2nc(NC(=O)CC[C@H](O)c3ccccc3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H26N2O4S/c1-32-21-12-8-19(9-13-21)25-26(20-10-14-22(33-2)15-11-20)34-27(29-25)28-24(31)17-16-23(30)18-6-4-3-5-7-18/h3-15,23,30H,16-17H2,1-2H3,(H,28,29,31)/t23-/m0/s1
InChIKeyZSTWTHJQQRNDTO-QHCPKHFHSA-N
XLogP5.95
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide 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

(4R)-4-hydroxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-phenylbutanamide
CID 126211741
(4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide
CID 126212541
4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126210220
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126210782
N-[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]propanamide
CID 22993762
N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide
CID 126202408
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 2281805
N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 126203858
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 126204764

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide?
The IUPAC name of (4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide (CID 126213988) is (4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide.
What is the SMILES notation for (4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide?
The canonical SMILES for (4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide is COc1ccc(-c2nc(NC(=O)CC[C@H](O)c3ccccc3)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of (4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide?
The InChIKey is ZSTWTHJQQRNDTO-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-32-21-12-8-19(9-13-21)25-26(20-10-14-22(33-2)15-11-20)34-27(29-25)28-24(31)17-16-23(30)18-6-4-3-5-7-18/h3-15,23,30H,16-17H2,1-2H3,(H,28,29,31)/t23-/m0/s1.
What are the key properties of (4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide?
(4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide has a molecular weight of 474.58 g/mol, XLogP of 5.95, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide is sourced from PubChem (CID 126213988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).