N-cyclopropyl-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide

C21H19N5OS — CID 25300698

IUPACN-cyclopropyl-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide
SMILESCc1ccc(-c2nc3ccccc3c3nnc(SCC(=O)NC4CC4)n23)cc1
InChIInChI=1S/C21H19N5OS/c1-13-6-8-14(9-7-13)19-23-17-5-3-2-4-16(17)20-24-25-21(26(19)20)28-12-18(27)22-15-10-11-15/h2-9,15H,10-12H2,1H3,(H,22,27)
InChIKeyFJNXFEPZSSBPFX-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.62
Rot. Bonds5

About N-cyclopropyl-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide

N-cyclopropyl-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide (PubChem CID 25300698) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide
PubChem CID25300698
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC NameN-cyclopropyl-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide
SMILESCc1ccc(-c2nc3ccccc3c3nnc(SCC(=O)NC4CC4)n23)cc1
InChIInChI=1S/C21H19N5OS/c1-13-6-8-14(9-7-13)19-23-17-5-3-2-4-16(17)20-24-25-21(26(19)20)28-12-18(27)22-15-10-11-15/h2-9,15H,10-12H2,1H3,(H,22,27)
InChIKeyFJNXFEPZSSBPFX-UHFFFAOYSA-N
XLogP3.62
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-cyclopentyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
CID 50815432
(2R)-2-[[2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetyl]amino]-2-phenylacetamide
CID 92733857
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide
CID 25300696
N-(4-methylcyclohexyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 8871437
N-(3-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide
CID 50815404
2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropylacetamide
CID 1313681
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-cyclopentylacetamide
CID 5025656
N-(1-benzylpiperidin-4-yl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 167761111
N-cyclopropyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2588477
N-cycloheptyl-2-[[5-(4-methylphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7566491
N-cyclohexyl-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 1374032
N-cyclopentyl-2-[[4-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]acetamide
CID 3226373

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide (CID 25300698) is N-cyclopropyl-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide is Cc1ccc(-c2nc3ccccc3c3nnc(SCC(=O)NC4CC4)n23)cc1.
What is the InChIKey of N-cyclopropyl-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide?
The InChIKey is FJNXFEPZSSBPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS/c1-13-6-8-14(9-7-13)19-23-17-5-3-2-4-16(17)20-24-25-21(26(19)20)28-12-18(27)22-15-10-11-15/h2-9,15H,10-12H2,1H3,(H,22,27).
What are the key properties of N-cyclopropyl-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide?
N-cyclopropyl-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 25300698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).