3-[5-[1-(4-fluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole

C16H12FN5OS — CID 50959369

IUPAC3-[5-[1-(4-fluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
SMILESCn1cnnc1Sc1ccc(-c2nccn2-c2ccc(F)cc2)o1
InChIInChI=1S/C16H12FN5OS/c1-21-10-19-20-16(21)24-14-7-6-13(23-14)15-18-8-9-22(15)12-4-2-11(17)3-5-12/h2-10H,1H3
InChIKeyPQTPOPMJNZRXGL-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.55
Rot. Bonds4

About 3-[5-[1-(4-fluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole

3-[5-[1-(4-fluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole (PubChem CID 50959369) has the molecular formula C16H12FN5OS and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-[5-[1-(4-fluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[5-[1-(4-fluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
PubChem CID50959369
Molecular FormulaC16H12FN5OS
Molecular Weight341.37 g/mol
Exact Mass341.07
IUPAC Name3-[5-[1-(4-fluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
SMILESCn1cnnc1Sc1ccc(-c2nccn2-c2ccc(F)cc2)o1
InChIInChI=1S/C16H12FN5OS/c1-21-10-19-20-16(21)24-14-7-6-13(23-14)15-18-8-9-22(15)12-4-2-11(17)3-5-12/h2-10H,1H3
InChIKeyPQTPOPMJNZRXGL-UHFFFAOYSA-N
XLogP3.55
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[5-[1-(4-fluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole with MolForge

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Related Compounds

2-{[4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitropyridine
CID 893773
N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 16677116
N,N-diethyl-3-[3-(furan-2-yl)-5-[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-yl]propan-1-amine
CID 70693484
N-(4-fluorophenyl)-2-{[5-(furan-2-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 7579958
N-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 16676923
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 16677114
1-(4-fluorophenyl)-3-methyl-5-{5-[(4H-1,2,4-triazol-3-ylthio)methyl]-2-furyl}-1H-1,2,4-triazole
CID 50985202
N-(3-fluorophenyl)-2-[[5-(furan-2-yl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7579844
N-(2-fluorophenyl)-2-[[5-(furan-2-yl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7579856
1-[[4-(4-Fluorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
CID 10694589
1-(Difluoromethyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole
CID 16624162
4-Benzyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazole
CID 17417107

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(4-fluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole?
The IUPAC name of 3-[5-[1-(4-fluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole (CID 50959369) is 3-[5-[1-(4-fluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-[5-[1-(4-fluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-[5-[1-(4-fluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole is Cn1cnnc1Sc1ccc(-c2nccn2-c2ccc(F)cc2)o1.
What is the InChIKey of 3-[5-[1-(4-fluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole?
The InChIKey is PQTPOPMJNZRXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5OS/c1-21-10-19-20-16(21)24-14-7-6-13(23-14)15-18-8-9-22(15)12-4-2-11(17)3-5-12/h2-10H,1H3.
What are the key properties of 3-[5-[1-(4-fluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole?
3-[5-[1-(4-fluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole has a molecular weight of 341.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(4-fluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole is sourced from PubChem (CID 50959369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).