5,6-dimethyl-3-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1H-pyridin-2-one

C15H19N3OS — CID 45221831

IUPAC5,6-dimethyl-3-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1H-pyridin-2-one
SMILESCc1cc(CN2CCCC2c2nccs2)c(=O)[nH]c1C
InChIInChI=1S/C15H19N3OS/c1-10-8-12(14(19)17-11(10)2)9-18-6-3-4-13(18)15-16-5-7-20-15/h5,7-8,13H,3-4,6,9H2,1-2H3,(H,17,19)
InChIKeyZRVDIPYZKVRMTQ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.79
Rot. Bonds3

About 5,6-dimethyl-3-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1H-pyridin-2-one

5,6-dimethyl-3-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1H-pyridin-2-one (PubChem CID 45221831) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1H-pyridin-2-one
PubChem CID45221831
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name5,6-dimethyl-3-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1H-pyridin-2-one
SMILESCc1cc(CN2CCCC2c2nccs2)c(=O)[nH]c1C
InChIInChI=1S/C15H19N3OS/c1-10-8-12(14(19)17-11(10)2)9-18-6-3-4-13(18)15-16-5-7-20-15/h5,7-8,13H,3-4,6,9H2,1-2H3,(H,17,19)
InChIKeyZRVDIPYZKVRMTQ-UHFFFAOYSA-N
XLogP2.79
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5,6-dimethyl-3-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1H-pyridin-2-one (CID 45221831) is 5,6-dimethyl-3-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5,6-dimethyl-3-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5,6-dimethyl-3-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1H-pyridin-2-one is Cc1cc(CN2CCCC2c2nccs2)c(=O)[nH]c1C.
What is the InChIKey of 5,6-dimethyl-3-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1H-pyridin-2-one?
The InChIKey is ZRVDIPYZKVRMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-8-12(14(19)17-11(10)2)9-18-6-3-4-13(18)15-16-5-7-20-15/h5,7-8,13H,3-4,6,9H2,1-2H3,(H,17,19).
What are the key properties of 5,6-dimethyl-3-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1H-pyridin-2-one?
5,6-dimethyl-3-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1H-pyridin-2-one has a molecular weight of 289.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 45221831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).