2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide

C19H21N3O3S — CID 20886493

IUPAC2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)CN2C(=O)CSc3ncccc32)cc1
InChIInChI=1S/C19H21N3O3S/c1-2-10-25-15-7-5-14(6-8-15)11-21-17(23)12-22-16-4-3-9-20-19(16)26-13-18(22)24/h3-9H,2,10-13H2,1H3,(H,21,23)
InChIKeyCLWAGEATNYBUMK-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.63
Rot. Bonds7

About 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide

2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide (PubChem CID 20886493) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
PubChem CID20886493
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)CN2C(=O)CSc3ncccc32)cc1
InChIInChI=1S/C19H21N3O3S/c1-2-10-25-15-7-5-14(6-8-15)11-21-17(23)12-22-16-4-3-9-20-19(16)26-13-18(22)24/h3-9H,2,10-13H2,1H3,(H,21,23)
InChIKeyCLWAGEATNYBUMK-UHFFFAOYSA-N
XLogP2.63
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide
CID 6625425
N-[(4-butoxyphenyl)methyl]-2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
CID 46387706
N-ethyl-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide
CID 46277515
N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide
CID 87016083
2-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 4546851
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 98466113
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 78810663
N-[(4-ethylphenyl)methyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide
CID 22575300
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide
CID 18111140
4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide
CID 46261547
N-[(4-methylphenyl)methyl]-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide
CID 22553290
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-phenoxybutyl)acetamide
CID 18120233

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide (CID 20886493) is 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide is CCCOc1ccc(CNC(=O)CN2C(=O)CSc3ncccc32)cc1.
What is the InChIKey of 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
The InChIKey is CLWAGEATNYBUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-2-10-25-15-7-5-14(6-8-15)11-21-17(23)12-22-16-4-3-9-20-19(16)26-13-18(22)24/h3-9H,2,10-13H2,1H3,(H,21,23).
What are the key properties of 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide is sourced from PubChem (CID 20886493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).