2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide

C19H21N3O2S — CID 95096841

IUPAC2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCCN1C(=O)[C@@H](CC(=O)N[C@H](C)c2ccccc2)Sc2ncccc21
InChIInChI=1S/C19H21N3O2S/c1-3-22-15-10-7-11-20-18(15)25-16(19(22)24)12-17(23)21-13(2)14-8-5-4-6-9-14/h4-11,13,16H,3,12H2,1-2H3,(H,21,23)/t13-,16-/m1/s1
InChIKeyRDIRGKJBEAALIR-CZUORRHYSA-N
MW355.46 g/mol
LogP3.18
Rot. Bonds5

About 2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide

2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 95096841) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID95096841
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCCN1C(=O)[C@@H](CC(=O)N[C@H](C)c2ccccc2)Sc2ncccc21
InChIInChI=1S/C19H21N3O2S/c1-3-22-15-10-7-11-20-18(15)25-16(19(22)24)12-17(23)21-13(2)14-8-5-4-6-9-14/h4-11,13,16H,3,12H2,1-2H3,(H,21,23)/t13-,16-/m1/s1
InChIKeyRDIRGKJBEAALIR-CZUORRHYSA-N
XLogP3.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-phenylethyl)acetamide
CID 53148542
2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-pyridin-3-ylethyl)acetamide
CID 53148529
N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096902
N-butan-2-yl-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
CID 53148501
(3S)-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one
CID 95096874
N-(3-methylbutyl)-2-[(3S)-1-(2-methylpropyl)-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096961
1-ethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 53148534
2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
CID 95096981
2-[(3S)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(2-methylbutan-2-yl)acetamide
CID 95096989
N-[2-(dimethylamino)ethyl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096913
2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
CID 95096732
2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide
CID 95096996

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide (CID 95096841) is 2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide is CCN1C(=O)[C@@H](CC(=O)N[C@H](C)c2ccccc2)Sc2ncccc21.
What is the InChIKey of 2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is RDIRGKJBEAALIR-CZUORRHYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-3-22-15-10-7-11-20-18(15)25-16(19(22)24)12-17(23)21-13(2)14-8-5-4-6-9-14/h4-11,13,16H,3,12H2,1-2H3,(H,21,23)/t13-,16-/m1/s1.
What are the key properties of 2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide?
2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 95096841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).