4,6-dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one

C13H10N2O2S2 — CID 2816786

IUPAC4,6-dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)n(C(=O)c3cccs3)sc2n1
InChIInChI=1S/C13H10N2O2S2/c1-7-6-8(2)14-11-10(7)13(17)15(19-11)12(16)9-4-3-5-18-9/h3-6H,1-2H3
InChIKeySRHVPBZHRXZPOR-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.82
Rot. Bonds1

About 4,6-dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one

4,6-dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one (PubChem CID 2816786) has the molecular formula C13H10N2O2S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name4,6-dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
PubChem CID2816786
Molecular FormulaC13H10N2O2S2
Molecular Weight290.37 g/mol
Exact Mass290.02
IUPAC Name4,6-dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)n(C(=O)c3cccs3)sc2n1
InChIInChI=1S/C13H10N2O2S2/c1-7-6-8(2)14-11-10(7)13(17)15(19-11)12(16)9-4-3-5-18-9/h3-6H,1-2H3
InChIKeySRHVPBZHRXZPOR-UHFFFAOYSA-N
XLogP2.82
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-1-(thiophene-2-carbonyl)pyridin-4-one
CID 142760567
(3-cyano-4,6-dimethyl-2-pyridinyl) thiophene-2-carboxylate
CID 2726030
2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133396446
thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 29023726
[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 56700437
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide
CID 121121088
1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione
CID 4171182
ethyl 3-oxo-2-(thiophene-2-carbonyl)-3-thiophen-2-ylpropanoate
CID 139814505
[(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 124680272
[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 91800754
benzotriazol-2-yl(thiophen-2-yl)methanone
CID 141296565
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The IUPAC name of 4,6-dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one (CID 2816786) is 4,6-dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for 4,6-dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The canonical SMILES for 4,6-dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one is Cc1cc(C)c2c(=O)n(C(=O)c3cccs3)sc2n1.
What is the InChIKey of 4,6-dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The InChIKey is SRHVPBZHRXZPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S2/c1-7-6-8(2)14-11-10(7)13(17)15(19-11)12(16)9-4-3-5-18-9/h3-6H,1-2H3.
What are the key properties of 4,6-dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
4,6-dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one has a molecular weight of 290.37 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 2816786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).