2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(5-fluoro-2-hydroxyphenyl)ethanone

C12H11FN4O2S — CID 43654843

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(5-fluoro-2-hydroxyphenyl)ethanone
SMILESO=C(CSc1nnnn1C1CC1)c1cc(F)ccc1O
InChIInChI=1S/C12H11FN4O2S/c13-7-1-4-10(18)9(5-7)11(19)6-20-12-14-15-16-17(12)8-2-3-8/h1,4-5,8,18H,2-3,6H2
InChIKeySDFRJKMUVNWCQD-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.83
Rot. Bonds5

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(5-fluoro-2-hydroxyphenyl)ethanone

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(5-fluoro-2-hydroxyphenyl)ethanone (PubChem CID 43654843) has the molecular formula C12H11FN4O2S and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(5-fluoro-2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(5-fluoro-2-hydroxyphenyl)ethanone
PubChem CID43654843
Molecular FormulaC12H11FN4O2S
Molecular Weight294.31 g/mol
Exact Mass294.06
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(5-fluoro-2-hydroxyphenyl)ethanone
SMILESO=C(CSc1nnnn1C1CC1)c1cc(F)ccc1O
InChIInChI=1S/C12H11FN4O2S/c13-7-1-4-10(18)9(5-7)11(19)6-20-12-14-15-16-17(12)8-2-3-8/h1,4-5,8,18H,2-3,6H2
InChIKeySDFRJKMUVNWCQD-UHFFFAOYSA-N
XLogP1.83
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(5-fluoro-2-hydroxyphenyl)ethanone?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(5-fluoro-2-hydroxyphenyl)ethanone (CID 43654843) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(5-fluoro-2-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(5-fluoro-2-hydroxyphenyl)ethanone?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(5-fluoro-2-hydroxyphenyl)ethanone is O=C(CSc1nnnn1C1CC1)c1cc(F)ccc1O.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(5-fluoro-2-hydroxyphenyl)ethanone?
The InChIKey is SDFRJKMUVNWCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2S/c13-7-1-4-10(18)9(5-7)11(19)6-20-12-14-15-16-17(12)8-2-3-8/h1,4-5,8,18H,2-3,6H2.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(5-fluoro-2-hydroxyphenyl)ethanone?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(5-fluoro-2-hydroxyphenyl)ethanone has a molecular weight of 294.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(5-fluoro-2-hydroxyphenyl)ethanone is sourced from PubChem (CID 43654843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).