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

C16H14ClN3O2S — CID 4247469

IUPACN-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(Cl)cc3)sc2n1
InChIInChI=1S/C16H14ClN3O2S/c1-9-7-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H,19,21)
InChIKeyIKEJORUOOGOBMU-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.37
Rot. Bonds3

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

N-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide (PubChem CID 4247469) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide
PubChem CID4247469
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC NameN-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(Cl)cc3)sc2n1
InChIInChI=1S/C16H14ClN3O2S/c1-9-7-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H,19,21)
InChIKeyIKEJORUOOGOBMU-UHFFFAOYSA-N
XLogP3.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(3-chloro-2-methylphenyl)-2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetamide
CID 4247467
2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)-N-(3-fluorophenyl)acetamide
CID 4247468
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
2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 4247320
2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(1-phenylethyl)acetamide
CID 6623010
N-[2-(4-chlorophenyl)ethyl]-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide
CID 6623049
4,6-dimethyl-2-(2-oxo-2-(piperazin-1-yl)ethyl)isothiazolo[5,4-b]pyridin-3(2H)-one
CID 67951149

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide (CID 4247469) is N-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide is Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(Cl)cc3)sc2n1.
What is the InChIKey of N-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide?
The InChIKey is IKEJORUOOGOBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-9-7-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide?
N-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide has a molecular weight of 347.83 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide is sourced from PubChem (CID 4247469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).