(4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide

C19H25N3O3S — CID 94834398

IUPAC(4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(CNC(=O)[C@H]1CSCN1C(=O)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C19H25N3O3S/c23-17(21-15-9-5-2-6-10-15)11-20-18(24)16-12-26-13-22(16)19(25)14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,20,24)(H,21,23)/t16-/m1/s1
InChIKeyAOCXFNFVSNHBRH-MRXNPFEDSA-N
MW375.49 g/mol
LogP1.77
Rot. Bonds5

About (4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 94834398) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is (4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID94834398
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name(4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(CNC(=O)[C@H]1CSCN1C(=O)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C19H25N3O3S/c23-17(21-15-9-5-2-6-10-15)11-20-18(24)16-12-26-13-22(16)19(25)14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,20,24)(H,21,23)/t16-/m1/s1
InChIKeyAOCXFNFVSNHBRH-MRXNPFEDSA-N
XLogP1.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide 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

3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide
CID 51331976
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
(4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 46390015
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55893789
(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55938881
(4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 809655
(4R)-3-benzoyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55938539
(4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide
CID 94608808
3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55545581

Frequently Asked Questions

What is the IUPAC name of (4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide (CID 94834398) is (4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide is O=C(CNC(=O)[C@H]1CSCN1C(=O)c1ccccc1)NC1CCCCC1.
What is the InChIKey of (4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is AOCXFNFVSNHBRH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O3S/c23-17(21-15-9-5-2-6-10-15)11-20-18(24)16-12-26-13-22(16)19(25)14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,20,24)(H,21,23)/t16-/m1/s1.
What are the key properties of (4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 94834398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).