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

C19H20N6O2S — CID 75466011

IUPAC2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide
SMILESO=C(Cn1cnc2ccsc2c1=O)NCCCCCc1nnc2ccccn12
InChIInChI=1S/C19H20N6O2S/c26-17(12-24-13-21-14-8-11-28-18(14)19(24)27)20-9-4-1-2-6-15-22-23-16-7-3-5-10-25(15)16/h3,5,7-8,10-11,13H,1-2,4,6,9,12H2,(H,20,26)
InChIKeyAYFNIOWOTSTPGN-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.03
Rot. Bonds8

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

2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide (PubChem CID 75466011) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide.

Molecular Properties

Compound Name2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide
PubChem CID75466011
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide
SMILESO=C(Cn1cnc2ccsc2c1=O)NCCCCCc1nnc2ccccn12
InChIInChI=1S/C19H20N6O2S/c26-17(12-24-13-21-14-8-11-28-18(14)19(24)27)20-9-4-1-2-6-15-22-23-16-7-3-5-10-25(15)16/h3,5,7-8,10-11,13H,1-2,4,6,9,12H2,(H,20,26)
InChIKeyAYFNIOWOTSTPGN-UHFFFAOYSA-N
XLogP2.03
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide?
The IUPAC name of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide (CID 75466011) is 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide.
What is the SMILES notation for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide?
The canonical SMILES for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide is O=C(Cn1cnc2ccsc2c1=O)NCCCCCc1nnc2ccccn12.
What is the InChIKey of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide?
The InChIKey is AYFNIOWOTSTPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c26-17(12-24-13-21-14-8-11-28-18(14)19(24)27)20-9-4-1-2-6-15-22-23-16-7-3-5-10-25(15)16/h3,5,7-8,10-11,13H,1-2,4,6,9,12H2,(H,20,26).
What are the key properties of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide?
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide has a molecular weight of 396.48 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide is sourced from PubChem (CID 75466011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).