(4S)-1-propyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylamino]pyrrolidin-2-one

C15H24N4OS — CID 164637909

IUPAC(4S)-1-propyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylamino]pyrrolidin-2-one
SMILESCCCN1C[C@@H](NCc2cnc(N3CCCC3)s2)CC1=O
InChIInChI=1S/C15H24N4OS/c1-2-5-19-11-12(8-14(19)20)16-9-13-10-17-15(21-13)18-6-3-4-7-18/h10,12,16H,2-9,11H2,1H3/t12-/m0/s1
InChIKeyUYPHVRDAOAOFPF-LBPRGKRZSA-N
MW308.45 g/mol
LogP1.84
Rot. Bonds6

About (4S)-1-propyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylamino]pyrrolidin-2-one

(4S)-1-propyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylamino]pyrrolidin-2-one (PubChem CID 164637909) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is (4S)-1-propyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-propyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylamino]pyrrolidin-2-one
PubChem CID164637909
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name(4S)-1-propyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylamino]pyrrolidin-2-one
SMILESCCCN1C[C@@H](NCc2cnc(N3CCCC3)s2)CC1=O
InChIInChI=1S/C15H24N4OS/c1-2-5-19-11-12(8-14(19)20)16-9-13-10-17-15(21-13)18-6-3-4-7-18/h10,12,16H,2-9,11H2,1H3/t12-/m0/s1
InChIKeyUYPHVRDAOAOFPF-LBPRGKRZSA-N
XLogP1.84
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
CID 44456032
N-isopropyl-1'-{[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methyl}-1,4'-bipiperidine-4-carboxamide
CID 25386247
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 52897212
2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 96525682
(4S)-N-(5-methyl-1,3-thiazol-2-yl)-2-oxoimidazolidine-4-carboxamide
CID 164629686
3-(Methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 22909972
N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide
CID 117089736
2-(ethylamino)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 71864067
2-(ethylamino)-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 96525680
1-Propan-2-yl-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-2-one
CID 133509066
1-[2-[[5-(Trifluoromethyl)-1,3-thiazol-2-yl]amino]propyl]pyrrolidin-2-one
CID 133522779
3-Propan-2-yl-7-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 136535642

Frequently Asked Questions

What is the IUPAC name of (4S)-1-propyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of (4S)-1-propyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylamino]pyrrolidin-2-one (CID 164637909) is (4S)-1-propyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-propyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-propyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylamino]pyrrolidin-2-one is CCCN1C[C@@H](NCc2cnc(N3CCCC3)s2)CC1=O.
What is the InChIKey of (4S)-1-propyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylamino]pyrrolidin-2-one?
The InChIKey is UYPHVRDAOAOFPF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-2-5-19-11-12(8-14(19)20)16-9-13-10-17-15(21-13)18-6-3-4-7-18/h10,12,16H,2-9,11H2,1H3/t12-/m0/s1.
What are the key properties of (4S)-1-propyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylamino]pyrrolidin-2-one?
(4S)-1-propyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylamino]pyrrolidin-2-one has a molecular weight of 308.45 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-propyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 164637909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).