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

C17H17N3O2S — CID 46277515

IUPACN-ethyl-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide
SMILESCCNC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1
InChIInChI=1S/C17H17N3O2S/c1-2-18-16(22)13-7-5-12(6-8-13)10-20-14-4-3-9-19-17(14)23-11-15(20)21/h3-9H,2,10-11H2,1H3,(H,18,22)
InChIKeyXJKWSFHPQDDIAY-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.47
Rot. Bonds4

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

N-ethyl-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide (PubChem CID 46277515) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-ethyl-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide
PubChem CID46277515
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-ethyl-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide
SMILESCCNC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1
InChIInChI=1S/C17H17N3O2S/c1-2-18-16(22)13-7-5-12(6-8-13)10-20-14-4-3-9-19-17(14)23-11-15(20)21/h3-9H,2,10-11H2,1H3,(H,18,22)
InChIKeyXJKWSFHPQDDIAY-UHFFFAOYSA-N
XLogP2.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide
CID 46277487
4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 46277509
1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 50758336
1-[[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 50758317
1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 20916570
4-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4693483
2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 20886493
4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoic acid
CID 53212616
N-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide
CID 6625425
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55692569
4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide
CID 46261547
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 98466113

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide?
The IUPAC name of N-ethyl-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide (CID 46277515) is N-ethyl-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-ethyl-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide?
The canonical SMILES for N-ethyl-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide is CCNC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1.
What is the InChIKey of N-ethyl-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide?
The InChIKey is XJKWSFHPQDDIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-2-18-16(22)13-7-5-12(6-8-13)10-20-14-4-3-9-19-17(14)23-11-15(20)21/h3-9H,2,10-11H2,1H3,(H,18,22).
What are the key properties of N-ethyl-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide?
N-ethyl-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide has a molecular weight of 327.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide is sourced from PubChem (CID 46277515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).