5-(fluoromethyl)-4-phenylthiadiazole

C9H7FN2S — CID 141237812

IUPAC5-(fluoromethyl)-4-phenylthiadiazole
SMILESFCc1snnc1-c1ccccc1
InChIInChI=1S/C9H7FN2S/c10-6-8-9(11-12-13-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyKEDBCASDPCUZJR-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.67
Rot. Bonds2

About 5-(fluoromethyl)-4-phenylthiadiazole

5-(fluoromethyl)-4-phenylthiadiazole (PubChem CID 141237812) has the molecular formula C9H7FN2S and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-(fluoromethyl)-4-phenylthiadiazole.

Molecular Properties

Compound Name5-(fluoromethyl)-4-phenylthiadiazole
PubChem CID141237812
Molecular FormulaC9H7FN2S
Molecular Weight194.23 g/mol
Exact Mass194.03
IUPAC Name5-(fluoromethyl)-4-phenylthiadiazole
SMILESFCc1snnc1-c1ccccc1
InChIInChI=1S/C9H7FN2S/c10-6-8-9(11-12-13-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyKEDBCASDPCUZJR-UHFFFAOYSA-N
XLogP2.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-4-phenylthiadiazole?
The IUPAC name of 5-(fluoromethyl)-4-phenylthiadiazole (CID 141237812) is 5-(fluoromethyl)-4-phenylthiadiazole.
What is the SMILES notation for 5-(fluoromethyl)-4-phenylthiadiazole?
The canonical SMILES for 5-(fluoromethyl)-4-phenylthiadiazole is FCc1snnc1-c1ccccc1.
What is the InChIKey of 5-(fluoromethyl)-4-phenylthiadiazole?
The InChIKey is KEDBCASDPCUZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2S/c10-6-8-9(11-12-13-8)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 5-(fluoromethyl)-4-phenylthiadiazole?
5-(fluoromethyl)-4-phenylthiadiazole has a molecular weight of 194.23 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-4-phenylthiadiazole is sourced from PubChem (CID 141237812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).