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

C16H11F2N5OS — CID 56752512

IUPAC3-[5-[1-(3,4-difluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
SMILESCn1cnnc1Sc1ccc(-c2nccn2-c2ccc(F)c(F)c2)o1
InChIInChI=1S/C16H11F2N5OS/c1-22-9-20-21-16(22)25-14-5-4-13(24-14)15-19-6-7-23(15)10-2-3-11(17)12(18)8-10/h2-9H,1H3
InChIKeyGLKHHFNZRUPWGJ-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.69
Rot. Bonds4

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

3-[5-[1-(3,4-difluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole (PubChem CID 56752512) has the molecular formula C16H11F2N5OS and a molecular weight of 359.36 g/mol. Its IUPAC name is 3-[5-[1-(3,4-difluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[5-[1-(3,4-difluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
PubChem CID56752512
Molecular FormulaC16H11F2N5OS
Molecular Weight359.36 g/mol
Exact Mass359.07
IUPAC Name3-[5-[1-(3,4-difluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
SMILESCn1cnnc1Sc1ccc(-c2nccn2-c2ccc(F)c(F)c2)o1
InChIInChI=1S/C16H11F2N5OS/c1-22-9-20-21-16(22)25-14-5-4-13(24-14)15-19-6-7-23(15)10-2-3-11(17)12(18)8-10/h2-9H,1H3
InChIKeyGLKHHFNZRUPWGJ-UHFFFAOYSA-N
XLogP3.69
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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-[[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
3-({5-[1-(4-fluorophenyl)-1H-imidazol-2-yl]-2-furyl}thio)-4-methyl-4H-1,2,4-triazole
CID 50959369
1-(4-fluorophenyl)-3-methyl-5-{5-[(4H-1,2,4-triazol-3-ylthio)methyl]-2-furyl}-1H-1,2,4-triazole
CID 50985202
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
1-(Difluoromethyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole
CID 16624478
4-Benzyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazole
CID 17417107
2-[[5-(Furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine
CID 17422757
4-[[1-(3-Fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 30899973

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(3,4-difluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole?
The IUPAC name of 3-[5-[1-(3,4-difluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole (CID 56752512) is 3-[5-[1-(3,4-difluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-[5-[1-(3,4-difluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-[5-[1-(3,4-difluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole is Cn1cnnc1Sc1ccc(-c2nccn2-c2ccc(F)c(F)c2)o1.
What is the InChIKey of 3-[5-[1-(3,4-difluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole?
The InChIKey is GLKHHFNZRUPWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N5OS/c1-22-9-20-21-16(22)25-14-5-4-13(24-14)15-19-6-7-23(15)10-2-3-11(17)12(18)8-10/h2-9H,1H3.
What are the key properties of 3-[5-[1-(3,4-difluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole?
3-[5-[1-(3,4-difluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole has a molecular weight of 359.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(3,4-difluorophenyl)imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole is sourced from PubChem (CID 56752512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).