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

C12H11FN2O2S — CID 103397233

IUPAC(4-ethylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCCc1nnsc1C(=O)c1ccc(OC)cc1F
InChIInChI=1S/C12H11FN2O2S/c1-3-10-12(18-15-14-10)11(16)8-5-4-7(17-2)6-9(8)13/h4-6H,3H2,1-2H3
InChIKeyBAPNGKKMOKHXBV-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.48
Rot. Bonds4

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

(4-ethylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 103397233) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID103397233
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name(4-ethylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCCc1nnsc1C(=O)c1ccc(OC)cc1F
InChIInChI=1S/C12H11FN2O2S/c1-3-10-12(18-15-14-10)11(16)8-5-4-7(17-2)6-9(8)13/h4-6H,3H2,1-2H3
InChIKeyBAPNGKKMOKHXBV-UHFFFAOYSA-N
XLogP2.48
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone (CID 103397233) is (4-ethylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone is CCc1nnsc1C(=O)c1ccc(OC)cc1F.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is BAPNGKKMOKHXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-3-10-12(18-15-14-10)11(16)8-5-4-7(17-2)6-9(8)13/h4-6H,3H2,1-2H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone?
(4-ethylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 266.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 103397233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).