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

C15H19N3O2S — CID 95096874

IUPAC(3S)-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one
SMILESCCN1C(=O)[C@H](CC(=O)N2CCCC2)Sc2ncccc21
InChIInChI=1S/C15H19N3O2S/c1-2-18-11-6-5-7-16-14(11)21-12(15(18)20)10-13(19)17-8-3-4-9-17/h5-7,12H,2-4,8-10H2,1H3/t12-/m0/s1
InChIKeyBJDYLEXRMVCYQX-LBPRGKRZSA-N
MW305.40 g/mol
LogP1.92
Rot. Bonds3

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

(3S)-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one (PubChem CID 95096874) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (3S)-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name(3S)-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one
PubChem CID95096874
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(3S)-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one
SMILESCCN1C(=O)[C@H](CC(=O)N2CCCC2)Sc2ncccc21
InChIInChI=1S/C15H19N3O2S/c1-2-18-11-6-5-7-16-14(11)21-12(15(18)20)10-13(19)17-8-3-4-9-17/h5-7,12H,2-4,8-10H2,1H3/t12-/m0/s1
InChIKeyBJDYLEXRMVCYQX-LBPRGKRZSA-N
XLogP1.92
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 53148534
3-[2-(azepan-1-yl)-2-oxoethyl]-1-propylpyrido[2,3-b][1,4]thiazin-2-one
CID 53148581
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1-methylpyrido[2,3-b][1,4]thiazin-2-one
CID 53148497
N,N-diethyl-2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
CID 53148564
(3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 95096800
(3S)-1-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 95096804
2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-phenylethyl)acetamide
CID 53148542
2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 95096841
2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methoxypropyl)acetamide
CID 95096849
N,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096934
N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096902
2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
CID 95096981

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one?
The IUPAC name of (3S)-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one (CID 95096874) is (3S)-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for (3S)-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for (3S)-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one is CCN1C(=O)[C@H](CC(=O)N2CCCC2)Sc2ncccc21.
What is the InChIKey of (3S)-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one?
The InChIKey is BJDYLEXRMVCYQX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-18-11-6-5-7-16-14(11)21-12(15(18)20)10-13(19)17-8-3-4-9-17/h5-7,12H,2-4,8-10H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one?
(3S)-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one has a molecular weight of 305.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 95096874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).