5-[5-(4-fluorophenyl)thiophen-2-yl]-1H-1,2,4-triazole

C12H8FN3S — CID 164955289

IUPAC5-[5-(4-fluorophenyl)thiophen-2-yl]-1H-1,2,4-triazole
SMILESFc1ccc(-c2ccc(-c3ncn[nH]3)s2)cc1
InChIInChI=1S/C12H8FN3S/c13-9-3-1-8(2-4-9)10-5-6-11(17-10)12-14-7-15-16-12/h1-7H,(H,14,15,16)
InChIKeyFCRRVGNHLOHMMR-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.34
Rot. Bonds2

About 5-[5-(4-fluorophenyl)thiophen-2-yl]-1H-1,2,4-triazole

5-[5-(4-fluorophenyl)thiophen-2-yl]-1H-1,2,4-triazole (PubChem CID 164955289) has the molecular formula C12H8FN3S and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)thiophen-2-yl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)thiophen-2-yl]-1H-1,2,4-triazole
PubChem CID164955289
Molecular FormulaC12H8FN3S
Molecular Weight245.28 g/mol
Exact Mass245.04
IUPAC Name5-[5-(4-fluorophenyl)thiophen-2-yl]-1H-1,2,4-triazole
SMILESFc1ccc(-c2ccc(-c3ncn[nH]3)s2)cc1
InChIInChI=1S/C12H8FN3S/c13-9-3-1-8(2-4-9)10-5-6-11(17-10)12-14-7-15-16-12/h1-7H,(H,14,15,16)
InChIKeyFCRRVGNHLOHMMR-UHFFFAOYSA-N
XLogP3.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
CID 662988
4-methyl-3-phenyl-5-(1H-1,2,4-triazol-3-yl)-2-thiophenecarbonitrile
CID 1488380
3-(2,6-Difluorophenyl)-1-methyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-triazole
CID 76319119
3-(2,6-Difluorophenyl)-5-[5-(3,4-difluorophenyl)thiophen-2-yl]-1-methyl-1,2,4-triazole
CID 76319135
N-(4-methylbenzyl)-3-(thiophen-2-yl)-1H-1,2,4-triazol-5-amine
CID 16478171
3-[(3-fluorobenzyl)sulfanyl]-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
CID 829914
3-[1-(4-fluorophenyl)ethylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 16326530
3-[5-(4-Fluorophenyl)thiophen-2-yl]-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 17551002
3-[1-(2,4-difluorophenyl)ethylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 56684531
N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 91661233
3-[(4-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 7457098
3-Phenyl-5-(2-thienyl)-1H-1,2,4-triazole
CID 13926287

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)thiophen-2-yl]-1H-1,2,4-triazole?
The IUPAC name of 5-[5-(4-fluorophenyl)thiophen-2-yl]-1H-1,2,4-triazole (CID 164955289) is 5-[5-(4-fluorophenyl)thiophen-2-yl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[5-(4-fluorophenyl)thiophen-2-yl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[5-(4-fluorophenyl)thiophen-2-yl]-1H-1,2,4-triazole is Fc1ccc(-c2ccc(-c3ncn[nH]3)s2)cc1.
What is the InChIKey of 5-[5-(4-fluorophenyl)thiophen-2-yl]-1H-1,2,4-triazole?
The InChIKey is FCRRVGNHLOHMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3S/c13-9-3-1-8(2-4-9)10-5-6-11(17-10)12-14-7-15-16-12/h1-7H,(H,14,15,16).
What are the key properties of 5-[5-(4-fluorophenyl)thiophen-2-yl]-1H-1,2,4-triazole?
5-[5-(4-fluorophenyl)thiophen-2-yl]-1H-1,2,4-triazole has a molecular weight of 245.28 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)thiophen-2-yl]-1H-1,2,4-triazole is sourced from PubChem (CID 164955289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).