N-(3-chloro-2-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide

C17H16ClN3O2S — CID 4247467

IUPACN-(3-chloro-2-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)Nc3cccc(Cl)c3C)sc2n1
InChIInChI=1S/C17H16ClN3O2S/c1-9-7-10(2)19-16-15(9)17(23)21(24-16)8-14(22)20-13-6-4-5-12(18)11(13)3/h4-7H,8H2,1-3H3,(H,20,22)
InChIKeyGRSUHZDPJSGDLS-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.68
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide

N-(3-chloro-2-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide (PubChem CID 4247467) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide
PubChem CID4247467
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)Nc3cccc(Cl)c3C)sc2n1
InChIInChI=1S/C17H16ClN3O2S/c1-9-7-10(2)19-16-15(9)17(23)21(24-16)8-14(22)20-13-6-4-5-12(18)11(13)3/h4-7H,8H2,1-3H3,(H,20,22)
InChIKeyGRSUHZDPJSGDLS-UHFFFAOYSA-N
XLogP3.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 4604410
2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)-N-propylacetamide
CID 6619971
N-cyclopentyl-2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetamide
CID 4048808
2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide
CID 5308990
N-(2-chloro-4-methylphenyl)-2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetamide
CID 4247466
2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)-N-(3-fluorophenyl)acetamide
CID 4247468
N-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetamide
CID 4247469
4,6-Dimethyl-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 5309798
N-butyl-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide
CID 20876820
1-(5-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonyl}-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
CID 7415285
N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945208
2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 4247320

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide (CID 4247467) is N-(3-chloro-2-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide is Cc1cc(C)c2c(=O)n(CC(=O)Nc3cccc(Cl)c3C)sc2n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide?
The InChIKey is GRSUHZDPJSGDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-9-7-10(2)19-16-15(9)17(23)21(24-16)8-14(22)20-13-6-4-5-12(18)11(13)3/h4-7H,8H2,1-3H3,(H,20,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide has a molecular weight of 361.85 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide is sourced from PubChem (CID 4247467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).