5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole

C14H13FN4OS2 — CID 17412989

IUPAC5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole
SMILESCOc1ccc(F)cc1CSc1nnnn1Cc1cccs1
InChIInChI=1S/C14H13FN4OS2/c1-20-13-5-4-11(15)7-10(13)9-22-14-16-17-18-19(14)8-12-3-2-6-21-12/h2-7H,8-9H2,1H3
InChIKeyGBXWXUUOURILPH-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.22
Rot. Bonds6

About 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole

5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole (PubChem CID 17412989) has the molecular formula C14H13FN4OS2 and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole.

Molecular Properties

Compound Name5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole
PubChem CID17412989
Molecular FormulaC14H13FN4OS2
Molecular Weight336.42 g/mol
Exact Mass336.05
IUPAC Name5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole
SMILESCOc1ccc(F)cc1CSc1nnnn1Cc1cccs1
InChIInChI=1S/C14H13FN4OS2/c1-20-13-5-4-11(15)7-10(13)9-22-14-16-17-18-19(14)8-12-3-2-6-21-12/h2-7H,8-9H2,1H3
InChIKeyGBXWXUUOURILPH-UHFFFAOYSA-N
XLogP3.22
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole?
The IUPAC name of 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole (CID 17412989) is 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole.
What is the SMILES notation for 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole?
The canonical SMILES for 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole is COc1ccc(F)cc1CSc1nnnn1Cc1cccs1.
What is the InChIKey of 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole?
The InChIKey is GBXWXUUOURILPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4OS2/c1-20-13-5-4-11(15)7-10(13)9-22-14-16-17-18-19(14)8-12-3-2-6-21-12/h2-7H,8-9H2,1H3.
What are the key properties of 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole?
5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole has a molecular weight of 336.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole is sourced from PubChem (CID 17412989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).