1-(5-fluoro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone

C11H11FN4O2S — CID 8021882

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
SMILESCOc1ccc(F)cc1C(=O)CSc1nnnn1C
InChIInChI=1S/C11H11FN4O2S/c1-16-11(13-14-15-16)19-6-9(17)8-5-7(12)3-4-10(8)18-2/h3-5H,6H2,1-2H3
InChIKeyOFDNKBBRXSLQKH-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.33
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone

1-(5-fluoro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone (PubChem CID 8021882) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
PubChem CID8021882
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
SMILESCOc1ccc(F)cc1C(=O)CSc1nnnn1C
InChIInChI=1S/C11H11FN4O2S/c1-16-11(13-14-15-16)19-6-9(17)8-5-7(12)3-4-10(8)18-2/h3-5H,6H2,1-2H3
InChIKeyOFDNKBBRXSLQKH-UHFFFAOYSA-N
XLogP1.33
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone (CID 8021882) is 1-(5-fluoro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone is COc1ccc(F)cc1C(=O)CSc1nnnn1C.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The InChIKey is OFDNKBBRXSLQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2S/c1-16-11(13-14-15-16)19-6-9(17)8-5-7(12)3-4-10(8)18-2/h3-5H,6H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
1-(5-fluoro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone has a molecular weight of 282.30 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 8021882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).