5-methoxy-2-methyl-1-[[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methyl]pyridin-4-one

C16H21N3O2S — CID 138052388

IUPAC5-methoxy-2-methyl-1-[[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methyl]pyridin-4-one
SMILESCOc1cn(CN2CCCC2c2csc(C)n2)c(C)cc1=O
InChIInChI=1S/C16H21N3O2S/c1-11-7-15(20)16(21-3)8-19(11)10-18-6-4-5-14(18)13-9-22-12(2)17-13/h7-9,14H,4-6,10H2,1-3H3
InChIKeyIVZGXAPFFAMIBW-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.72
Rot. Bonds4

About 5-methoxy-2-methyl-1-[[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methyl]pyridin-4-one

5-methoxy-2-methyl-1-[[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methyl]pyridin-4-one (PubChem CID 138052388) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 5-methoxy-2-methyl-1-[[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methyl]pyridin-4-one.

Molecular Properties

Compound Name5-methoxy-2-methyl-1-[[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methyl]pyridin-4-one
PubChem CID138052388
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name5-methoxy-2-methyl-1-[[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methyl]pyridin-4-one
SMILESCOc1cn(CN2CCCC2c2csc(C)n2)c(C)cc1=O
InChIInChI=1S/C16H21N3O2S/c1-11-7-15(20)16(21-3)8-19(11)10-18-6-4-5-14(18)13-9-22-12(2)17-13/h7-9,14H,4-6,10H2,1-3H3
InChIKeyIVZGXAPFFAMIBW-UHFFFAOYSA-N
XLogP2.72
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-1-[[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methyl]pyridin-4-one?
The IUPAC name of 5-methoxy-2-methyl-1-[[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methyl]pyridin-4-one (CID 138052388) is 5-methoxy-2-methyl-1-[[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methyl]pyridin-4-one.
What is the SMILES notation for 5-methoxy-2-methyl-1-[[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methyl]pyridin-4-one?
The canonical SMILES for 5-methoxy-2-methyl-1-[[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methyl]pyridin-4-one is COc1cn(CN2CCCC2c2csc(C)n2)c(C)cc1=O.
What is the InChIKey of 5-methoxy-2-methyl-1-[[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methyl]pyridin-4-one?
The InChIKey is IVZGXAPFFAMIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-7-15(20)16(21-3)8-19(11)10-18-6-4-5-14(18)13-9-22-12(2)17-13/h7-9,14H,4-6,10H2,1-3H3.
What are the key properties of 5-methoxy-2-methyl-1-[[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methyl]pyridin-4-one?
5-methoxy-2-methyl-1-[[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methyl]pyridin-4-one has a molecular weight of 319.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-1-[[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methyl]pyridin-4-one is sourced from PubChem (CID 138052388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).