4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pyrrolidin-2-one

C13H14N4OS — CID 106184210

IUPAC4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2csc(-c3ccccn3)n2)CN1
InChIInChI=1S/C13H14N4OS/c18-12-5-9(6-16-12)15-7-10-8-19-13(17-10)11-3-1-2-4-14-11/h1-4,8-9,15H,5-7H2,(H,16,18)
InChIKeyNGEDYCTYOIKLJT-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.18
Rot. Bonds4

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

4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pyrrolidin-2-one (PubChem CID 106184210) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pyrrolidin-2-one
PubChem CID106184210
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2csc(-c3ccccn3)n2)CN1
InChIInChI=1S/C13H14N4OS/c18-12-5-9(6-16-12)15-7-10-8-19-13(17-10)11-3-1-2-4-14-11/h1-4,8-9,15H,5-7H2,(H,16,18)
InChIKeyNGEDYCTYOIKLJT-UHFFFAOYSA-N
XLogP1.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine
CID 43778614
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 62396715
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-3-amine
CID 126812434
4-(quinolin-2-ylmethylamino)pyrrolidin-2-one
CID 114155310
1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784317
(5S)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 95588913
4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234338
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 115768471
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
CID 60863942
4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one
CID 106182416

Frequently Asked Questions

What is the IUPAC name of 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pyrrolidin-2-one (CID 106184210) is 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pyrrolidin-2-one is O=C1CC(NCc2csc(-c3ccccn3)n2)CN1.
What is the InChIKey of 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pyrrolidin-2-one?
The InChIKey is NGEDYCTYOIKLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c18-12-5-9(6-16-12)15-7-10-8-19-13(17-10)11-3-1-2-4-14-11/h1-4,8-9,15H,5-7H2,(H,16,18).
What are the key properties of 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pyrrolidin-2-one?
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pyrrolidin-2-one has a molecular weight of 274.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106184210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).