(4S)-3-benzylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide

C16H19N3O3S3 — CID 20973510

IUPAC(4S)-3-benzylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1nc(CNC(=O)[C@H]2CSCN2S(=O)(=O)Cc2ccccc2)cs1
InChIInChI=1S/C16H19N3O3S3/c1-12-18-14(8-24-12)7-17-16(20)15-9-23-11-19(15)25(21,22)10-13-5-3-2-4-6-13/h2-6,8,15H,7,9-11H2,1H3,(H,17,20)/t15-/m1/s1
InChIKeyDUQQOVBRIMLLED-OAHLLOKOSA-N
MW397.55 g/mol
LogP1.97
Rot. Bonds6

About (4S)-3-benzylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-benzylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 20973510) has the molecular formula C16H19N3O3S3 and a molecular weight of 397.55 g/mol. Its IUPAC name is (4S)-3-benzylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-benzylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID20973510
Molecular FormulaC16H19N3O3S3
Molecular Weight397.55 g/mol
Exact Mass397.06
IUPAC Name(4S)-3-benzylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1nc(CNC(=O)[C@H]2CSCN2S(=O)(=O)Cc2ccccc2)cs1
InChIInChI=1S/C16H19N3O3S3/c1-12-18-14(8-24-12)7-17-16(20)15-9-23-11-19(15)25(21,22)10-13-5-3-2-4-6-13/h2-6,8,15H,7,9-11H2,1H3,(H,17,20)/t15-/m1/s1
InChIKeyDUQQOVBRIMLLED-OAHLLOKOSA-N
XLogP1.97
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-3-benzylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-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

(4S)-3-(2-ethylbutanoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973579
(4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 95279006
N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide
CID 43073205
(4S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 50831406
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[4-(propanoylamino)phenyl]sulfonyl-1,3-thiazolidine-4-carboxamide
CID 75554377
(4S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 50831379
1-(3-chlorophenyl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 75554214
(2R)-1-(4-acetylphenyl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 46385719
1-(4-methoxyphenyl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 75554182
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide
CID 47319374
3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103994759
(2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide
CID 50828964

Frequently Asked Questions

What is the IUPAC name of (4S)-3-benzylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-benzylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide (CID 20973510) is (4S)-3-benzylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-benzylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-benzylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide is Cc1nc(CNC(=O)[C@H]2CSCN2S(=O)(=O)Cc2ccccc2)cs1.
What is the InChIKey of (4S)-3-benzylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is DUQQOVBRIMLLED-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N3O3S3/c1-12-18-14(8-24-12)7-17-16(20)15-9-23-11-19(15)25(21,22)10-13-5-3-2-4-6-13/h2-6,8,15H,7,9-11H2,1H3,(H,17,20)/t15-/m1/s1.
What are the key properties of (4S)-3-benzylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-benzylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 397.55 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-benzylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 20973510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).