(5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C13H17N3O2S — CID 95762094

IUPAC(5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCC[C@@H](c3nccs3)C2)N1
InChIInChI=1S/C13H17N3O2S/c17-11-4-3-10(15-11)13(18)16-6-1-2-9(8-16)12-14-5-7-19-12/h5,7,9-10H,1-4,6,8H2,(H,15,17)/t9-,10+/m1/s1
InChIKeyGSUACXBFTUXNLP-ZJUUUORDSA-N
MW279.36 g/mol
LogP1.13
Rot. Bonds2

About (5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

(5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95762094) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is (5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95762094
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name(5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCC[C@@H](c3nccs3)C2)N1
InChIInChI=1S/C13H17N3O2S/c17-11-4-3-10(15-11)13(18)16-6-1-2-9(8-16)12-14-5-7-19-12/h5,7,9-10H,1-4,6,8H2,(H,15,17)/t9-,10+/m1/s1
InChIKeyGSUACXBFTUXNLP-ZJUUUORDSA-N
XLogP1.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-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-hydroxycyclopentyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110014632
(4S)-1-(2-methoxyethyl)-4-[(3S)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95178640
(5R)-5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 9234582
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436
(4-methylpyrimidin-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124553964
(2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119873434
3-(1,3-thiazol-2-yl)azepane-1-carboxamide
CID 67258050
1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 95761166
1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 56532644
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
[(1R,2R)-2-ethoxycyclopropyl]-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95178681
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 95762094) is (5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is O=C1CC[C@@H](C(=O)N2CCC[C@@H](c3nccs3)C2)N1.
What is the InChIKey of (5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is GSUACXBFTUXNLP-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H17N3O2S/c17-11-4-3-10(15-11)13(18)16-6-1-2-9(8-16)12-14-5-7-19-12/h5,7,9-10H,1-4,6,8H2,(H,15,17)/t9-,10+/m1/s1.
What are the key properties of (5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
(5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 279.36 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95762094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).