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

C18H15N5OS — CID 17475609

IUPACN-(2-methylphenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc2c3ccccc3ncn2n1
InChIInChI=1S/C18H15N5OS/c1-12-6-2-4-8-14(12)20-16(24)10-25-18-21-17-13-7-3-5-9-15(13)19-11-23(17)22-18/h2-9,11H,10H2,1H3,(H,20,24)
InChIKeyMIWISPHQDUGLDD-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.32
Rot. Bonds4

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

N-(2-methylphenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide (PubChem CID 17475609) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
PubChem CID17475609
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC NameN-(2-methylphenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc2c3ccccc3ncn2n1
InChIInChI=1S/C18H15N5OS/c1-12-6-2-4-8-14(12)20-16(24)10-25-18-21-17-13-7-3-5-9-15(13)19-11-23(17)22-18/h2-9,11H,10H2,1H3,(H,20,24)
InChIKeyMIWISPHQDUGLDD-UHFFFAOYSA-N
XLogP3.32
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methylphenyl)-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-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 17492618
N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 44597359
methyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate
CID 8902218
2-[2-(2-methylanilino)-2-oxoethyl]sulfanylquinazoline-4-carboxylic acid
CID 44723920
3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol
CID 47087479
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 17288710
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 39922720
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 3898863
2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 863146
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 46324868

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide?
The IUPAC name of N-(2-methylphenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide (CID 17475609) is N-(2-methylphenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide is Cc1ccccc1NC(=O)CSc1nc2c3ccccc3ncn2n1.
What is the InChIKey of N-(2-methylphenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide?
The InChIKey is MIWISPHQDUGLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-12-6-2-4-8-14(12)20-16(24)10-25-18-21-17-13-7-3-5-9-15(13)19-11-23(17)22-18/h2-9,11H,10H2,1H3,(H,20,24).
What are the key properties of N-(2-methylphenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide?
N-(2-methylphenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide has a molecular weight of 349.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 17475609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).