1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole

C16H15FN4OS — CID 42691330

IUPAC1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole
SMILESCOc1ccc(SCc2nnnn2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN4OS/c1-22-14-6-8-15(9-7-14)23-11-16-18-19-20-21(16)10-12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3
InChIKeyCWRISTAZDQQTGU-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.16
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole

1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole (PubChem CID 42691330) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole
PubChem CID42691330
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole
SMILESCOc1ccc(SCc2nnnn2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN4OS/c1-22-14-6-8-15(9-7-14)23-11-16-18-19-20-21(16)10-12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3
InChIKeyCWRISTAZDQQTGU-UHFFFAOYSA-N
XLogP3.16
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine
CID 112518555
N-[(4-fluorophenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
CID 27091861
5-bromo-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]triazole
CID 166068450
1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209982
1-(4-fluorophenyl)-4-[(4-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209998
methyl 3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propanoate
CID 69189007
1-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7389259
1-[(1S)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-(4-methoxyphenyl)piperazine
CID 1446489
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
CID 46672088
2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 18098906
1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209976
[1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol
CID 94943302

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole (CID 42691330) is 1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole is COc1ccc(SCc2nnnn2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole?
The InChIKey is CWRISTAZDQQTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-22-14-6-8-15(9-7-14)23-11-16-18-19-20-21(16)10-12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole?
1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole has a molecular weight of 330.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole is sourced from PubChem (CID 42691330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).