2-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-oxo-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

C15H22N4O3S — CID 162479515

IUPAC2-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-oxo-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESN#CC(C[C@H]1CCNC1=O)C1C(C(N)=O)N2CCCCC2S1=O
InChIInChI=1S/C15H22N4O3S/c16-8-10(7-9-4-5-18-15(9)21)13-12(14(17)20)19-6-2-1-3-11(19)23(13)22/h9-13H,1-7H2,(H2,17,20)(H,18,21)/t9-,10?,11?,12?,13?,23?/m1/s1
InChIKeyJABWNPOSCMPGHS-FLIFSASZSA-N
MW338.43 g/mol
LogP-0.55
Rot. Bonds4

About 2-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-oxo-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

2-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-oxo-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 162479515) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-oxo-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-oxo-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
PubChem CID162479515
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name2-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-oxo-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESN#CC(C[C@H]1CCNC1=O)C1C(C(N)=O)N2CCCCC2S1=O
InChIInChI=1S/C15H22N4O3S/c16-8-10(7-9-4-5-18-15(9)21)13-12(14(17)20)19-6-2-1-3-11(19)23(13)22/h9-13H,1-7H2,(H2,17,20)(H,18,21)/t9-,10?,11?,12?,13?,23?/m1/s1
InChIKeyJABWNPOSCMPGHS-FLIFSASZSA-N
XLogP-0.55
TPSA116.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-oxo-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-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

[1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate
CID 175304766
(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanenitrile;methanesulfonic acid
CID 163323580
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol
CID 171843230
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide;prop-1-ene
CID 166112266
methyl 2-[[(2S)-2-aminopent-4-ynoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 166744807
3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
(2S)-N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-3,3-dimethyl-2-(methylamino)butanamide
CID 166975891
methyl (2S)-2-(aminoiodanuidylmethyl)-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate
CID 162479060
(3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one
CID 162695973
3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one
CID 176958856
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]cyclohexanecarboxamide
CID 162396392

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-oxo-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-oxo-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 162479515) is 2-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-oxo-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-oxo-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-oxo-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is N#CC(C[C@H]1CCNC1=O)C1C(C(N)=O)N2CCCCC2S1=O.
What is the InChIKey of 2-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-oxo-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The InChIKey is JABWNPOSCMPGHS-FLIFSASZSA-N. The full InChI is InChI=1S/C15H22N4O3S/c16-8-10(7-9-4-5-18-15(9)21)13-12(14(17)20)19-6-2-1-3-11(19)23(13)22/h9-13H,1-7H2,(H2,17,20)(H,18,21)/t9-,10?,11?,12?,13?,23?/m1/s1.
What are the key properties of 2-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-oxo-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
2-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-oxo-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide has a molecular weight of 338.43 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-oxo-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 162479515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).