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

C17H27N3OS — CID 75380792

IUPAC1-[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]pentan-3-yl]pyrrolidin-2-one
SMILESCCC(CCNCc1cnc(C2CCC2)s1)N1CCCC1=O
InChIInChI=1S/C17H27N3OS/c1-2-14(20-10-4-7-16(20)21)8-9-18-11-15-12-19-17(22-15)13-5-3-6-13/h12-14,18H,2-11H2,1H3
InChIKeyDYIPFZFWCTVHDJ-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.29
Rot. Bonds8

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

1-[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]pentan-3-yl]pyrrolidin-2-one (PubChem CID 75380792) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is 1-[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]pentan-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]pentan-3-yl]pyrrolidin-2-one
PubChem CID75380792
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name1-[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]pentan-3-yl]pyrrolidin-2-one
SMILESCCC(CCNCc1cnc(C2CCC2)s1)N1CCCC1=O
InChIInChI=1S/C17H27N3OS/c1-2-14(20-10-4-7-16(20)21)8-9-18-11-15-12-19-17(22-15)13-5-3-6-13/h12-14,18H,2-11H2,1H3
InChIKeyDYIPFZFWCTVHDJ-UHFFFAOYSA-N
XLogP3.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]pentan-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]pentan-3-yl]pyrrolidin-2-one (CID 75380792) is 1-[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]pentan-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]pentan-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]pentan-3-yl]pyrrolidin-2-one is CCC(CCNCc1cnc(C2CCC2)s1)N1CCCC1=O.
What is the InChIKey of 1-[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]pentan-3-yl]pyrrolidin-2-one?
The InChIKey is DYIPFZFWCTVHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-2-14(20-10-4-7-16(20)21)8-9-18-11-15-12-19-17(22-15)13-5-3-6-13/h12-14,18H,2-11H2,1H3.
What are the key properties of 1-[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]pentan-3-yl]pyrrolidin-2-one?
1-[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]pentan-3-yl]pyrrolidin-2-one has a molecular weight of 321.49 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]pentan-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 75380792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).