1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one

C14H17N3O2S — CID 53014183

IUPAC1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one
SMILESCN1C(=O)C(CC(=O)N2CCCC2)Sc2ncccc21
InChIInChI=1S/C14H17N3O2S/c1-16-10-5-4-6-15-13(10)20-11(14(16)19)9-12(18)17-7-2-3-8-17/h4-6,11H,2-3,7-9H2,1H3
InChIKeyVWWZAPIPJXPXJF-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.53
Rot. Bonds2

About 1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one

1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one (PubChem CID 53014183) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one
PubChem CID53014183
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one
SMILESCN1C(=O)C(CC(=O)N2CCCC2)Sc2ncccc21
InChIInChI=1S/C14H17N3O2S/c1-16-10-5-4-6-15-13(10)20-11(14(16)19)9-12(18)17-7-2-3-8-17/h4-6,11H,2-3,7-9H2,1H3
InChIKeyVWWZAPIPJXPXJF-UHFFFAOYSA-N
XLogP1.53
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one?
The IUPAC name of 1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one (CID 53014183) is 1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for 1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for 1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one is CN1C(=O)C(CC(=O)N2CCCC2)Sc2ncccc21.
What is the InChIKey of 1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one?
The InChIKey is VWWZAPIPJXPXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-16-10-5-4-6-15-13(10)20-11(14(16)19)9-12(18)17-7-2-3-8-17/h4-6,11H,2-3,7-9H2,1H3.
What are the key properties of 1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one?
1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one has a molecular weight of 291.38 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 53014183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).