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

C13H17N3O2S — CID 95096732

IUPAC2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
SMILESCCCNC(=O)C[C@@H]1Sc2ncccc2N(C)C1=O
InChIInChI=1S/C13H17N3O2S/c1-3-6-14-11(17)8-10-13(18)16(2)9-5-4-7-15-12(9)19-10/h4-5,7,10H,3,6,8H2,1-2H3,(H,14,17)/t10-/m0/s1
InChIKeyIMKUTLVKJUPNHE-JTQLQIEISA-N
MW279.36 g/mol
LogP1.43
Rot. Bonds4

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

2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide (PubChem CID 95096732) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
PubChem CID95096732
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
SMILESCCCNC(=O)C[C@@H]1Sc2ncccc2N(C)C1=O
InChIInChI=1S/C13H17N3O2S/c1-3-6-14-11(17)8-10-13(18)16(2)9-5-4-7-15-12(9)19-10/h4-5,7,10H,3,6,8H2,1-2H3,(H,14,17)/t10-/m0/s1
InChIKeyIMKUTLVKJUPNHE-JTQLQIEISA-N
XLogP1.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
CID 95096981
N-butan-2-yl-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
CID 53148501
N-[2-(dimethylamino)ethyl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096913
N-[(5-methylfuran-2-yl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
CID 53148522
(3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 95096800
2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methoxypropyl)acetamide
CID 95096849
2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide
CID 53148624
2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-pyridin-3-ylethyl)acetamide
CID 53148529
N-(3-methylbutyl)-2-[(3S)-1-(2-methylpropyl)-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096961
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1-methylpyrido[2,3-b][1,4]thiazin-2-one
CID 53148497
N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096902
2-[(3S)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(2-methylbutan-2-yl)acetamide
CID 95096989

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide?
The IUPAC name of 2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide (CID 95096732) is 2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide.
What is the SMILES notation for 2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide?
The canonical SMILES for 2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide is CCCNC(=O)C[C@@H]1Sc2ncccc2N(C)C1=O.
What is the InChIKey of 2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide?
The InChIKey is IMKUTLVKJUPNHE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-6-14-11(17)8-10-13(18)16(2)9-5-4-7-15-12(9)19-10/h4-5,7,10H,3,6,8H2,1-2H3,(H,14,17)/t10-/m0/s1.
What are the key properties of 2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide?
2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide has a molecular weight of 279.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide is sourced from PubChem (CID 95096732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).