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

C16H14FN3O2S — CID 4247468

IUPAC2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-fluorophenyl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)Nc3cccc(F)c3)sc2n1
InChIInChI=1S/C16H14FN3O2S/c1-9-6-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-4-11(17)7-12/h3-7H,8H2,1-2H3,(H,19,21)
InChIKeyIBQOHGWFALSCHS-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.85
Rot. Bonds3

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

2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-fluorophenyl)acetamide (PubChem CID 4247468) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-fluorophenyl)acetamide
PubChem CID4247468
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-fluorophenyl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)Nc3cccc(F)c3)sc2n1
InChIInChI=1S/C16H14FN3O2S/c1-9-6-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-4-11(17)7-12/h3-7H,8H2,1-2H3,(H,19,21)
InChIKeyIBQOHGWFALSCHS-UHFFFAOYSA-N
XLogP2.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-
CID 173760
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
2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 5309478
ethyl 4-(2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetyl)piperazine-1-carboxylate
CID 49878590
N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxo-acetyl]pyrrole-2-carboxamide
CID 130408700
Isothiazolo(5,4-b)pyridin-3(2H)-one, 2-benzoyl-4,6-dimethyl-
CID 2816721
Isothiazolo(5,4-b)pyridin-3(2H)-one, 2-acetyl-4,6-dimethyl-
CID 2816723
Sdccgsbi-0661720.P001
CID 2430108
N-(4-bromo-3-methylphenyl)-2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetamide
CID 4247465
N-(2-chloro-4-methylphenyl)-2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetamide
CID 4247466

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-fluorophenyl)acetamide (CID 4247468) is 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-fluorophenyl)acetamide is Cc1cc(C)c2c(=O)n(CC(=O)Nc3cccc(F)c3)sc2n1.
What is the InChIKey of 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-fluorophenyl)acetamide?
The InChIKey is IBQOHGWFALSCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-9-6-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-4-11(17)7-12/h3-7H,8H2,1-2H3,(H,19,21).
What are the key properties of 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-fluorophenyl)acetamide?
2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-fluorophenyl)acetamide has a molecular weight of 331.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 4247468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).