1-[(4-fluorophenyl)methyl]-5-thiophen-3-yltetrazole

C12H9FN4S — CID 23019980

IUPAC1-[(4-fluorophenyl)methyl]-5-thiophen-3-yltetrazole
SMILESFc1ccc(Cn2nnnc2-c2ccsc2)cc1
InChIInChI=1S/C12H9FN4S/c13-11-3-1-9(2-4-11)7-17-12(14-15-16-17)10-5-6-18-8-10/h1-6,8H,7H2
InChIKeyIXHYXRMCYBQZTM-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.59
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-5-thiophen-3-yltetrazole

1-[(4-fluorophenyl)methyl]-5-thiophen-3-yltetrazole (PubChem CID 23019980) has the molecular formula C12H9FN4S and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-thiophen-3-yltetrazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-thiophen-3-yltetrazole
PubChem CID23019980
Molecular FormulaC12H9FN4S
Molecular Weight260.30 g/mol
Exact Mass260.05
IUPAC Name1-[(4-fluorophenyl)methyl]-5-thiophen-3-yltetrazole
SMILESFc1ccc(Cn2nnnc2-c2ccsc2)cc1
InChIInChI=1S/C12H9FN4S/c13-11-3-1-9(2-4-11)7-17-12(14-15-16-17)10-5-6-18-8-10/h1-6,8H,7H2
InChIKeyIXHYXRMCYBQZTM-UHFFFAOYSA-N
XLogP2.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
CID 662988
1H-Tetrazole, 1-benzyl-5-(2-thienyl)-
CID 561448
Benzyl-[1-(1-tert-butyl-1H-tetrazol-5-yl)-2-methyl-propyl]-thiophen-2-ylmethyl-amine
CID 648935
3-Benzylsulfanyl-4-ethyl-5-thiophen-2-yl-1,2,4-triazole
CID 936961
1-Ethyl-4-[(4-fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 647074
1-Cyclohexyl-4-[(4-fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 650502
N-[(1-cyclohexyl-5-tetrazolyl)-thiophen-2-ylmethyl]-N-(phenylmethyl)ethanamine
CID 654196
1-{[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-azepane
CID 654539
1-Cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 655925
Benzyl-[(1-cyclohexyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-(4-fluoro-benzyl)-amine
CID 3193725
1-Cyclopentyl-4-[(4-fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 6602655
1-[(4-Fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-4-methyl-piperazine
CID 6602666

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-thiophen-3-yltetrazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-thiophen-3-yltetrazole (CID 23019980) is 1-[(4-fluorophenyl)methyl]-5-thiophen-3-yltetrazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-thiophen-3-yltetrazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-thiophen-3-yltetrazole is Fc1ccc(Cn2nnnc2-c2ccsc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-thiophen-3-yltetrazole?
The InChIKey is IXHYXRMCYBQZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4S/c13-11-3-1-9(2-4-11)7-17-12(14-15-16-17)10-5-6-18-8-10/h1-6,8H,7H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-thiophen-3-yltetrazole?
1-[(4-fluorophenyl)methyl]-5-thiophen-3-yltetrazole has a molecular weight of 260.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-thiophen-3-yltetrazole is sourced from PubChem (CID 23019980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).