(2-fluoro-4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanone

C11H9FN2O2S — CID 103397252

IUPAC(2-fluoro-4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanone
SMILESCOc1ccc(C(=O)c2snnc2C)c(F)c1
InChIInChI=1S/C11H9FN2O2S/c1-6-11(17-14-13-6)10(15)8-4-3-7(16-2)5-9(8)12/h3-5H,1-2H3
InChIKeyUUFCNXKNMGWAIM-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.23
Rot. Bonds3

About (2-fluoro-4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanone

(2-fluoro-4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanone (PubChem CID 103397252) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanone
PubChem CID103397252
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Name(2-fluoro-4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanone
SMILESCOc1ccc(C(=O)c2snnc2C)c(F)c1
InChIInChI=1S/C11H9FN2O2S/c1-6-11(17-14-13-6)10(15)8-4-3-7(16-2)5-9(8)12/h3-5H,1-2H3
InChIKeyUUFCNXKNMGWAIM-UHFFFAOYSA-N
XLogP2.23
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanone (CID 103397252) is (2-fluoro-4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanone is COc1ccc(C(=O)c2snnc2C)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is UUFCNXKNMGWAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c1-6-11(17-14-13-6)10(15)8-4-3-7(16-2)5-9(8)12/h3-5H,1-2H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanone?
(2-fluoro-4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 252.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 103397252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).