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

C12H11FN2OS — CID 105095763

IUPAC(4-ethylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methanone
SMILESCCc1nnsc1C(=O)c1ccc(F)cc1C
InChIInChI=1S/C12H11FN2OS/c1-3-10-12(17-15-14-10)11(16)9-5-4-8(13)6-7(9)2/h4-6H,3H2,1-2H3
InChIKeyIDWBBMRIPAKESQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.78
Rot. Bonds3

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

(4-ethylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methanone (PubChem CID 105095763) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methanone
PubChem CID105095763
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name(4-ethylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methanone
SMILESCCc1nnsc1C(=O)c1ccc(F)cc1C
InChIInChI=1S/C12H11FN2OS/c1-3-10-12(17-15-14-10)11(16)9-5-4-8(13)6-7(9)2/h4-6H,3H2,1-2H3
InChIKeyIDWBBMRIPAKESQ-UHFFFAOYSA-N
XLogP2.78
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methanone (CID 105095763) is (4-ethylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methanone is CCc1nnsc1C(=O)c1ccc(F)cc1C.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is IDWBBMRIPAKESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-3-10-12(17-15-14-10)11(16)9-5-4-8(13)6-7(9)2/h4-6H,3H2,1-2H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methanone?
(4-ethylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methanone has a molecular weight of 250.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 105095763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).