2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

C17H16N6O2S — CID 17450727

IUPAC2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESCc1sc2ncn(CC(=O)NCc3nnc4ccccn34)c(=O)c2c1C
InChIInChI=1S/C17H16N6O2S/c1-10-11(2)26-16-15(10)17(25)22(9-19-16)8-14(24)18-7-13-21-20-12-5-3-4-6-23(12)13/h3-6,9H,7-8H2,1-2H3,(H,18,24)
InChIKeyXISJSVVOVBZWJL-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.43
Rot. Bonds4

About 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (PubChem CID 17450727) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
PubChem CID17450727
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC Name2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESCc1sc2ncn(CC(=O)NCc3nnc4ccccn34)c(=O)c2c1C
InChIInChI=1S/C17H16N6O2S/c1-10-11(2)26-16-15(10)17(25)22(9-19-16)8-14(24)18-7-13-21-20-12-5-3-4-6-23(12)13/h3-6,9H,7-8H2,1-2H3,(H,18,24)
InChIKeyXISJSVVOVBZWJL-UHFFFAOYSA-N
XLogP1.43
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (CID 17450727) is 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is Cc1sc2ncn(CC(=O)NCc3nnc4ccccn34)c(=O)c2c1C.
What is the InChIKey of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The InChIKey is XISJSVVOVBZWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-10-11(2)26-16-15(10)17(25)22(9-19-16)8-14(24)18-7-13-21-20-12-5-3-4-6-23(12)13/h3-6,9H,7-8H2,1-2H3,(H,18,24).
What are the key properties of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide has a molecular weight of 368.42 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 17450727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).