N-(4-fluorophenyl)-N-methyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide

C24H18FN5OS — CID 22587822

IUPACN-(4-fluorophenyl)-N-methyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
SMILESCN(C(=O)CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)c1ccc(F)cc1
InChIInChI=1S/C24H18FN5OS/c1-29(18-13-11-17(25)12-14-18)21(31)15-32-24-28-27-23-19-9-5-6-10-20(19)26-22(30(23)24)16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyIIMCABXKICJFPE-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.84
Rot. Bonds5

About N-(4-fluorophenyl)-N-methyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide

N-(4-fluorophenyl)-N-methyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide (PubChem CID 22587822) has the molecular formula C24H18FN5OS and a molecular weight of 443.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
PubChem CID22587822
Molecular FormulaC24H18FN5OS
Molecular Weight443.51 g/mol
Exact Mass443.12
IUPAC NameN-(4-fluorophenyl)-N-methyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
SMILESCN(C(=O)CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)c1ccc(F)cc1
InChIInChI=1S/C24H18FN5OS/c1-29(18-13-11-17(25)12-14-18)21(31)15-32-24-28-27-23-19-9-5-6-10-20(19)26-22(30(23)24)16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyIIMCABXKICJFPE-UHFFFAOYSA-N
XLogP4.84
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4-fluorophenyl)-N-methyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]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-fluorophenyl)-2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-methylacetamide
CID 50755329
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylacetamide
CID 7989593
N-butyl-N-methyl-2-[[5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide
CID 50814897
2-[[4-(2,4-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylacetamide
CID 3913682
N-cyclopentyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
CID 50815432
N-cyclopropyl-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide
CID 25300698
N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 2694799
(2R)-2-[[2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetyl]amino]-2-phenylacetamide
CID 92733857
5-phenyl-3-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 50815243
2-[(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N,N-diethylacetamide
CID 3227411
2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 40622774
N-(3-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide
CID 50815404

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide (CID 22587822) is N-(4-fluorophenyl)-N-methyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide is CN(C(=O)CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide?
The InChIKey is IIMCABXKICJFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5OS/c1-29(18-13-11-17(25)12-14-18)21(31)15-32-24-28-27-23-19-9-5-6-10-20(19)26-22(30(23)24)16-7-3-2-4-8-16/h2-14H,15H2,1H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide?
N-(4-fluorophenyl)-N-methyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide has a molecular weight of 443.51 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 22587822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).