N-(2-methoxyethyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide

C15H17N5O2S — CID 3238974

IUPACN-(2-methoxyethyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCOCCNC(=O)CSc1nc2ccccc2c2nc(C)nn12
InChIInChI=1S/C15H17N5O2S/c1-10-17-14-11-5-3-4-6-12(11)18-15(20(14)19-10)23-9-13(21)16-7-8-22-2/h3-6H,7-9H2,1-2H3,(H,16,21)
InChIKeyAHVZDKCCWJUJSH-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.44
Rot. Bonds6

About N-(2-methoxyethyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide

N-(2-methoxyethyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide (PubChem CID 3238974) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
PubChem CID3238974
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN-(2-methoxyethyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCOCCNC(=O)CSc1nc2ccccc2c2nc(C)nn12
InChIInChI=1S/C15H17N5O2S/c1-10-17-14-11-5-3-4-6-12(11)18-15(20(14)19-10)23-9-13(21)16-7-8-22-2/h3-6H,7-9H2,1-2H3,(H,16,21)
InChIKeyAHVZDKCCWJUJSH-UHFFFAOYSA-N
XLogP1.44
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-(2-methoxyethyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide (CID 3238974) is N-(2-methoxyethyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide is COCCNC(=O)CSc1nc2ccccc2c2nc(C)nn12.
What is the InChIKey of N-(2-methoxyethyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide?
The InChIKey is AHVZDKCCWJUJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-10-17-14-11-5-3-4-6-12(11)18-15(20(14)19-10)23-9-13(21)16-7-8-22-2/h3-6H,7-9H2,1-2H3,(H,16,21).
What are the key properties of N-(2-methoxyethyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide?
N-(2-methoxyethyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide has a molecular weight of 331.40 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 3238974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).