(4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanone

C10H7FN2OS — CID 105078686

IUPAC(4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H7FN2OS/c1-6-10(15-13-12-6)9(14)7-2-4-8(11)5-3-7/h2-5H,1H3
InChIKeyODJPYCPOIABPSZ-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.22
Rot. Bonds2

About (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanone

(4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanone (PubChem CID 105078686) has the molecular formula C10H7FN2OS and a molecular weight of 222.24 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanone
PubChem CID105078686
Molecular FormulaC10H7FN2OS
Molecular Weight222.24 g/mol
Exact Mass222.03
IUPAC Name(4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H7FN2OS/c1-6-10(15-13-12-6)9(14)7-2-4-8(11)5-3-7/h2-5H,1H3
InChIKeyODJPYCPOIABPSZ-UHFFFAOYSA-N
XLogP2.22
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanone (CID 105078686) is (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is ODJPYCPOIABPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2OS/c1-6-10(15-13-12-6)9(14)7-2-4-8(11)5-3-7/h2-5H,1H3.
What are the key properties of (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanone?
(4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 222.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105078686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).