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

C14H19N3O2S — CID 53148501

IUPACN-butan-2-yl-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
SMILESCCC(C)NC(=O)CC1Sc2ncccc2N(C)C1=O
InChIInChI=1S/C14H19N3O2S/c1-4-9(2)16-12(18)8-11-14(19)17(3)10-6-5-7-15-13(10)20-11/h5-7,9,11H,4,8H2,1-3H3,(H,16,18)
InChIKeyBMVQXPIPLUYTMH-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.82
Rot. Bonds4

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

N-butan-2-yl-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide (PubChem CID 53148501) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-butan-2-yl-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
PubChem CID53148501
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-butan-2-yl-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
SMILESCCC(C)NC(=O)CC1Sc2ncccc2N(C)C1=O
InChIInChI=1S/C14H19N3O2S/c1-4-9(2)16-12(18)8-11-14(19)17(3)10-6-5-7-15-13(10)20-11/h5-7,9,11H,4,8H2,1-3H3,(H,16,18)
InChIKeyBMVQXPIPLUYTMH-UHFFFAOYSA-N
XLogP1.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
CID 95096732
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1-methylpyrido[2,3-b][1,4]thiazin-2-one
CID 53148497
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
(3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 95096800
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-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 95096804
2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide
CID 53148624
2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
CID 95096981
N-(3-methylbutyl)-2-[(3S)-1-(2-methylpropyl)-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096961
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 N-butan-2-yl-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide (CID 53148501) is N-butan-2-yl-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide is CCC(C)NC(=O)CC1Sc2ncccc2N(C)C1=O.
What is the InChIKey of N-butan-2-yl-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The InChIKey is BMVQXPIPLUYTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-9(2)16-12(18)8-11-14(19)17(3)10-6-5-7-15-13(10)20-11/h5-7,9,11H,4,8H2,1-3H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
N-butan-2-yl-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide has a molecular weight of 293.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide is sourced from PubChem (CID 53148501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).