2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide

C16H23N3O2S — CID 95096981

IUPAC2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
SMILESCCCCN1C(=O)[C@@H](CC(=O)NCCC)Sc2ncccc21
InChIInChI=1S/C16H23N3O2S/c1-3-5-10-19-12-7-6-9-18-15(12)22-13(16(19)21)11-14(20)17-8-4-2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyDWJUTDOHZRBWGK-CYBMUJFWSA-N
MW321.45 g/mol
LogP2.61
Rot. Bonds7

About 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide

2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide (PubChem CID 95096981) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
PubChem CID95096981
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
SMILESCCCCN1C(=O)[C@@H](CC(=O)NCCC)Sc2ncccc21
InChIInChI=1S/C16H23N3O2S/c1-3-5-10-19-12-7-6-9-18-15(12)22-13(16(19)21)11-14(20)17-8-4-2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyDWJUTDOHZRBWGK-CYBMUJFWSA-N
XLogP2.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide
CID 53148624
2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
CID 95096732
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-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(4-fluorophenyl)acetamide
CID 50846711
2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide
CID 95096996
2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methoxypropyl)acetamide
CID 95096849
N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096902
N-(3-methylbutyl)-2-[(3S)-1-(2-methylpropyl)-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096961
N,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096934
3-[2-(azepan-1-yl)-2-oxoethyl]-1-propylpyrido[2,3-b][1,4]thiazin-2-one
CID 53148581
2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-phenylethyl)acetamide
CID 53148542

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide?
The IUPAC name of 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide (CID 95096981) is 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide.
What is the SMILES notation for 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide?
The canonical SMILES for 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide is CCCCN1C(=O)[C@@H](CC(=O)NCCC)Sc2ncccc21.
What is the InChIKey of 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide?
The InChIKey is DWJUTDOHZRBWGK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-3-5-10-19-12-7-6-9-18-15(12)22-13(16(19)21)11-14(20)17-8-4-2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,17,20)/t13-/m1/s1.
What are the key properties of 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide?
2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide has a molecular weight of 321.45 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide is sourced from PubChem (CID 95096981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).