3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one

C13H23N3O2S — CID 97096904

IUPAC3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESCC[C@H]1CN(C(=O)CN2CSCC2=O)C[C@@H]1N(C)C
InChIInChI=1S/C13H23N3O2S/c1-4-10-5-15(6-11(10)14(2)3)12(17)7-16-9-19-8-13(16)18/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyBPTRSMSBGIZEHD-QWRGUYRKSA-N
MW285.41 g/mol
LogP0.32
Rot. Bonds4

About 3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one

3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 97096904) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID97096904
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESCC[C@H]1CN(C(=O)CN2CSCC2=O)C[C@@H]1N(C)C
InChIInChI=1S/C13H23N3O2S/c1-4-10-5-15(6-11(10)14(2)3)12(17)7-16-9-19-8-13(16)18/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyBPTRSMSBGIZEHD-QWRGUYRKSA-N
XLogP0.32
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-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

3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 128848247
1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 43170988
methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate
CID 78919114
4-[2-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one
CID 71927875
3-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride
CID 120818727
N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 115869532
N-(1-aminopropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 119584929
3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 56802451
(4S)-4-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 98791325
1-[2-[(3S,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 97096954
1-[2-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 97096943
2-[acetyl-[(4S)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]azepan-4-yl]amino]acetic acid
CID 129332794

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (CID 97096904) is 3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is CC[C@H]1CN(C(=O)CN2CSCC2=O)C[C@@H]1N(C)C.
What is the InChIKey of 3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is BPTRSMSBGIZEHD-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-10-5-15(6-11(10)14(2)3)12(17)7-16-9-19-8-13(16)18/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of 3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 285.41 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 97096904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).