(2S)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide

C16H19N3O3S2 — CID 32621992

IUPAC(2S)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H]1C(=O)/N=c1\sccn1Cc1ccccc1
InChIInChI=1S/C16H19N3O3S2/c1-24(21,22)19-9-5-8-14(19)15(20)17-16-18(10-11-23-16)12-13-6-3-2-4-7-13/h2-4,6-7,10-11,14H,5,8-9,12H2,1H3/b17-16-/t14-/m0/s1
InChIKeyKUSUDXBPKYGPEG-HYEKCJMVSA-N
MW365.48 g/mol
LogP1.45
Rot. Bonds4

About (2S)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide

(2S)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 32621992) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (2S)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID32621992
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name(2S)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H]1C(=O)/N=c1\sccn1Cc1ccccc1
InChIInChI=1S/C16H19N3O3S2/c1-24(21,22)19-9-5-8-14(19)15(20)17-16-18(10-11-23-16)12-13-6-3-2-4-7-13/h2-4,6-7,10-11,14H,5,8-9,12H2,1H3/b17-16-/t14-/m0/s1
InChIKeyKUSUDXBPKYGPEG-HYEKCJMVSA-N
XLogP1.45
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-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

(2R)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 32621990
N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide
CID 18209405
1-(3-benzyl-1,3-thiazol-2-ylidene)-3-propan-2-ylthiourea
CID 9098389
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
N-(3-benzyl-1,3-thiazol-2-ylidene)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18285459
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 16561302
2-[(3-benzyl-1,3-thiazol-2-ylidene)carbamothioylamino]ethyl-dimethylazanium
CID 9098391
N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide
CID 9194190
N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide
CID 38272852
N-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 18269929
1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
CID 51240572
N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18293281

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide (CID 32621992) is (2S)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide is CS(=O)(=O)N1CCC[C@H]1C(=O)/N=c1\sccn1Cc1ccccc1.
What is the InChIKey of (2S)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is KUSUDXBPKYGPEG-HYEKCJMVSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-24(21,22)19-9-5-8-14(19)15(20)17-16-18(10-11-23-16)12-13-6-3-2-4-7-13/h2-4,6-7,10-11,14H,5,8-9,12H2,1H3/b17-16-/t14-/m0/s1.
What are the key properties of (2S)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide?
(2S)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 32621992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).