(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one

C14H18N2OS3 — CID 124625829

IUPAC(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
SMILESC[C@H](SC1=NCCS1)C(=O)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C14H18N2OS3/c1-10(20-14-15-6-9-19-14)13(17)16-7-2-4-11(16)12-5-3-8-18-12/h3,5,8,10-11H,2,4,6-7,9H2,1H3/t10-,11+/m0/s1
InChIKeyVWBRZAPXWOTZML-WDEREUQCSA-N
MW326.51 g/mol
LogP3.64
Rot. Bonds3

About (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one

(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one (PubChem CID 124625829) has the molecular formula C14H18N2OS3 and a molecular weight of 326.51 g/mol. Its IUPAC name is (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
PubChem CID124625829
Molecular FormulaC14H18N2OS3
Molecular Weight326.51 g/mol
Exact Mass326.06
IUPAC Name(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
SMILESC[C@H](SC1=NCCS1)C(=O)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C14H18N2OS3/c1-10(20-14-15-6-9-19-14)13(17)16-7-2-4-11(16)12-5-3-8-18-12/h3,5,8,10-11H,2,4,6-7,9H2,1H3/t10-,11+/m0/s1
InChIKeyVWBRZAPXWOTZML-WDEREUQCSA-N
XLogP3.64
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one 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

2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 112810704
2-(3,5-dimethylpyrazol-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 47993168
2-methyl-3-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpropanoic acid
CID 64914478
2-chloro-2-phenyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 60953082
2-amino-3-methoxy-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120984461
[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035561
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 79853993
(2-amino-3-methylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 61115821
(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 29284515
5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 55822134
4-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]oxybenzonitrile
CID 51152868

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one (CID 124625829) is (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one is C[C@H](SC1=NCCS1)C(=O)N1CCC[C@@H]1c1cccs1.
What is the InChIKey of (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one?
The InChIKey is VWBRZAPXWOTZML-WDEREUQCSA-N. The full InChI is InChI=1S/C14H18N2OS3/c1-10(20-14-15-6-9-19-14)13(17)16-7-2-4-11(16)12-5-3-8-18-12/h3,5,8,10-11H,2,4,6-7,9H2,1H3/t10-,11+/m0/s1.
What are the key properties of (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one?
(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one has a molecular weight of 326.51 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 124625829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).