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

C16H25N3OS — CID 97226548

IUPAC1-[(3S)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one
SMILESC[C@@H](CCN1CCCC1=O)NCc1cnc(C2CCC2)s1
InChIInChI=1S/C16H25N3OS/c1-12(7-9-19-8-3-6-15(19)20)17-10-14-11-18-16(21-14)13-4-2-5-13/h11-13,17H,2-10H2,1H3/t12-/m0/s1
InChIKeyALNSXVDCRNLHMS-LBPRGKRZSA-N
MW307.46 g/mol
LogP2.90
Rot. Bonds7

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

1-[(3S)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one (PubChem CID 97226548) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 1-[(3S)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one
PubChem CID97226548
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name1-[(3S)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one
SMILESC[C@@H](CCN1CCCC1=O)NCc1cnc(C2CCC2)s1
InChIInChI=1S/C16H25N3OS/c1-12(7-9-19-8-3-6-15(19)20)17-10-14-11-18-16(21-14)13-4-2-5-13/h11-13,17H,2-10H2,1H3/t12-/m0/s1
InChIKeyALNSXVDCRNLHMS-LBPRGKRZSA-N
XLogP2.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one
CID 75380800
(3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 103854799
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 64984724
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pentan-2-amine
CID 115698852
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine
CID 75380778
1-[(3S)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]butyl]pyrrolidin-2-one
CID 97227250
1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 62758526
1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one
CID 115718781
(1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine
CID 97089159
N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79088240
(4S,5R)-4-[[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one
CID 128971848
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 115697267

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one?
The IUPAC name of 1-[(3S)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one (CID 97226548) is 1-[(3S)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3S)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3S)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one is C[C@@H](CCN1CCCC1=O)NCc1cnc(C2CCC2)s1.
What is the InChIKey of 1-[(3S)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one?
The InChIKey is ALNSXVDCRNLHMS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-12(7-9-19-8-3-6-15(19)20)17-10-14-11-18-16(21-14)13-4-2-5-13/h11-13,17H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one?
1-[(3S)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one has a molecular weight of 307.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one is sourced from PubChem (CID 97226548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).