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

C22H16FN5O2S — CID 71907012

IUPACN-[(4-fluorophenyl)methyl]-2-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc2ccccc2c2nc(-c3ccco3)nn12)NCc1ccc(F)cc1
InChIInChI=1S/C22H16FN5O2S/c23-15-9-7-14(8-10-15)12-24-19(29)13-31-22-25-17-5-2-1-4-16(17)21-26-20(27-28(21)22)18-6-3-11-30-18/h1-11H,12-13H2,(H,24,29)
InChIKeyPNJPKXMRQZBGFG-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.09
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-2-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide (PubChem CID 71907012) has the molecular formula C22H16FN5O2S and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide
PubChem CID71907012
Molecular FormulaC22H16FN5O2S
Molecular Weight433.47 g/mol
Exact Mass433.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc2ccccc2c2nc(-c3ccco3)nn12)NCc1ccc(F)cc1
InChIInChI=1S/C22H16FN5O2S/c23-15-9-7-14(8-10-15)12-24-19(29)13-31-22-25-17-5-2-1-4-16(17)21-26-20(27-28(21)22)18-6-3-11-30-18/h1-11H,12-13H2,(H,24,29)
InChIKeyPNJPKXMRQZBGFG-UHFFFAOYSA-N
XLogP4.09
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46679609
2-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 93488558
N-[(4-fluorophenyl)methyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329634
5-[(4-fluorophenyl)methylsulfanyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 4087598
N-[(4-fluorophenyl)methyl]-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 17033340
N-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride
CID 126479090
2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 14031894
N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-fluorobenzamide
CID 3580564
N-(oxolan-2-ylmethyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
CID 4094395
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 2561583
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
CID 4094396
N-[(4-chlorophenyl)methyl]-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide
CID 46337919

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide (CID 71907012) is N-[(4-fluorophenyl)methyl]-2-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide is O=C(CSc1nc2ccccc2c2nc(-c3ccco3)nn12)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide?
The InChIKey is PNJPKXMRQZBGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O2S/c23-15-9-7-14(8-10-15)12-24-19(29)13-31-22-25-17-5-2-1-4-16(17)21-26-20(27-28(21)22)18-6-3-11-30-18/h1-11H,12-13H2,(H,24,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide has a molecular weight of 433.47 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 71907012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).