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

C17H12ClN5OS — CID 44597359

IUPACN-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2c3ccccc3ncn2n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN5OS/c18-11-5-7-12(8-6-11)20-15(24)9-25-17-21-16-13-3-1-2-4-14(13)19-10-23(16)22-17/h1-8,10H,9H2,(H,20,24)
InChIKeyJGIOEYXLKXTVAR-UHFFFAOYSA-N
MW369.84 g/mol
LogP3.66
Rot. Bonds4

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

N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide (PubChem CID 44597359) has the molecular formula C17H12ClN5OS and a molecular weight of 369.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
PubChem CID44597359
Molecular FormulaC17H12ClN5OS
Molecular Weight369.84 g/mol
Exact Mass369.05
IUPAC NameN-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2c3ccccc3ncn2n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN5OS/c18-11-5-7-12(8-6-11)20-15(24)9-25-17-21-16-13-3-1-2-4-14(13)19-10-23(16)22-17/h1-8,10H,9H2,(H,20,24)
InChIKeyJGIOEYXLKXTVAR-UHFFFAOYSA-N
XLogP3.66
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.84
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chlorophenyl)-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-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 17490808
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
N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362180
N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 41351214
3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol
CID 47087479
N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803
N-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide
CID 166331146
N-(4-chlorophenyl)-2-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]acetamide
CID 2893765
2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide
CID 106679046
N-(4-chlorophenyl)-2-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1203143

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide (CID 44597359) is N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide is O=C(CSc1nc2c3ccccc3ncn2n1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide?
The InChIKey is JGIOEYXLKXTVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5OS/c18-11-5-7-12(8-6-11)20-15(24)9-25-17-21-16-13-3-1-2-4-14(13)19-10-23(16)22-17/h1-8,10H,9H2,(H,20,24).
What are the key properties of N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide?
N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide has a molecular weight of 369.84 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 44597359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).