N-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide

C17H13N5OS — CID 17490808

IUPACN-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2c3ccccc3ncn2n1)Nc1ccccc1
InChIInChI=1S/C17H13N5OS/c23-15(19-12-6-2-1-3-7-12)10-24-17-20-16-13-8-4-5-9-14(13)18-11-22(16)21-17/h1-9,11H,10H2,(H,19,23)
InChIKeyFBVGTPUJKZAFOB-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.01
Rot. Bonds4

About N-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide

N-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide (PubChem CID 17490808) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is N-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
PubChem CID17490808
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC NameN-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2c3ccccc3ncn2n1)Nc1ccccc1
InChIInChI=1S/C17H13N5OS/c23-15(19-12-6-2-1-3-7-12)10-24-17-20-16-13-8-4-5-9-14(13)18-11-22(16)21-17/h1-9,11H,10H2,(H,19,23)
InChIKeyFBVGTPUJKZAFOB-UHFFFAOYSA-N
XLogP3.01
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 44597359
N-(2-methylphenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 17475609
N-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 17492618
methyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate
CID 8902218
3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol
CID 47087479
2-[[5-(benzimidazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 142697073
4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide
CID 2409976
N-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
CID 3359750
2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide
CID 12840972
ethyl 4-[[2-(4-methylquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 3312624
2-[(4-aminopyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide
CID 100723955
2-[3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 6489117

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide?
The IUPAC name of N-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide (CID 17490808) is N-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide is O=C(CSc1nc2c3ccccc3ncn2n1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide?
The InChIKey is FBVGTPUJKZAFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c23-15(19-12-6-2-1-3-7-12)10-24-17-20-16-13-8-4-5-9-14(13)18-11-22(16)21-17/h1-9,11H,10H2,(H,19,23).
What are the key properties of N-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide?
N-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide has a molecular weight of 335.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 17490808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).