N-(2-chlorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide

C17H16ClN3O2S — CID 20890111

IUPACN-(2-chlorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESCc1cc(C)c2c(n1)SCC(=O)N2CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H16ClN3O2S/c1-10-7-11(2)19-17-16(10)21(15(23)9-24-17)8-14(22)20-13-6-4-3-5-12(13)18/h3-7H,8-9H2,1-2H3,(H,20,22)
InChIKeyRREWQJJKJJQLOJ-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.43
Rot. Bonds3

About N-(2-chlorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide

N-(2-chlorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (PubChem CID 20890111) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
PubChem CID20890111
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC NameN-(2-chlorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESCc1cc(C)c2c(n1)SCC(=O)N2CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H16ClN3O2S/c1-10-7-11(2)19-17-16(10)21(15(23)9-24-17)8-14(22)20-13-6-4-3-5-12(13)18/h3-7H,8-9H2,1-2H3,(H,20,22)
InChIKeyRREWQJJKJJQLOJ-UHFFFAOYSA-N
XLogP3.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide
CID 5308257
2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 16011693
2-(6,8-dimethyl-2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16011699
2-[(3-Benzylquinoxalin-2-YL)sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 16030467
2-({3-[(4-Chlorophenyl)methyl]quinoxalin-2-YL}sulfanyl)-1-(piperidin-1-YL)ethan-1-one
CID 16030549
N-(3-Chlorophenyl)-2-{2-oxo-1H,2H,3H-pyrido[2,3-B][1,4]thiazin-1-YL}acetamide
CID 20889981
2-(6,8-dimethyl-2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-methylphenyl)acetamide
CID 16011695
N-Butyl-2-({3-[(4-chlorophenyl)methyl]quinoxalin-2-YL}sulfanyl)acetamide
CID 16030531
N-(2,5-difluorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 20890150
N-(4-chlorophenyl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide
CID 660941
2-({3-[(4-Chlorophenyl)methyl]quinoxalin-2-YL}sulfanyl)-N-(3-methylbutyl)acetamide
CID 16030551
2-({3-[(4-Chlorophenyl)methyl]quinoxalin-2-YL}sulfanyl)-1-(2-methylpiperidin-1-YL)ethan-1-one
CID 16030553

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (CID 20890111) is N-(2-chlorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The InChIKey is RREWQJJKJJQLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-10-7-11(2)19-17-16(10)21(15(23)9-24-17)8-14(22)20-13-6-4-3-5-12(13)18/h3-7H,8-9H2,1-2H3,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
N-(2-chlorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide has a molecular weight of 361.85 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is sourced from PubChem (CID 20890111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).