2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C19H19N5O2S2 — CID 2493197

IUPAC2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cccs3)nnc12
InChIInChI=1S/C19H19N5O2S2/c1-2-9-23-17(26)14-7-3-4-8-15(14)24-18(23)21-22-19(24)28-12-16(25)20-11-13-6-5-10-27-13/h3-8,10H,2,9,11-12H2,1H3,(H,20,25)
InChIKeyQUTFKXQUOLXHNY-UHFFFAOYSA-N
MW413.53 g/mol
LogP2.92
Rot. Bonds7

About 2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2493197) has the molecular formula C19H19N5O2S2 and a molecular weight of 413.53 g/mol. Its IUPAC name is 2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2493197
Molecular FormulaC19H19N5O2S2
Molecular Weight413.53 g/mol
Exact Mass413.10
IUPAC Name2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cccs3)nnc12
InChIInChI=1S/C19H19N5O2S2/c1-2-9-23-17(26)14-7-3-4-8-15(14)24-18(23)21-22-19(24)28-12-16(25)20-11-13-6-5-10-27-13/h3-8,10H,2,9,11-12H2,1H3,(H,20,25)
InChIKeyQUTFKXQUOLXHNY-UHFFFAOYSA-N
XLogP2.92
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 2493197) is 2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is CCCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cccs3)nnc12.
What is the InChIKey of 2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QUTFKXQUOLXHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S2/c1-2-9-23-17(26)14-7-3-4-8-15(14)24-18(23)21-22-19(24)28-12-16(25)20-11-13-6-5-10-27-13/h3-8,10H,2,9,11-12H2,1H3,(H,20,25).
What are the key properties of 2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 413.53 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2493197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).