5-cyclopropyl-4-(fluoromethyl)thiadiazole

C6H7FN2S — CID 141237847

IUPAC5-cyclopropyl-4-(fluoromethyl)thiadiazole
SMILESFCc1nnsc1C1CC1
InChIInChI=1S/C6H7FN2S/c7-3-5-6(4-1-2-4)10-9-8-5/h4H,1-3H2
InChIKeyJBGWADZLXQFMMH-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.88
Rot. Bonds2

About 5-cyclopropyl-4-(fluoromethyl)thiadiazole

5-cyclopropyl-4-(fluoromethyl)thiadiazole (PubChem CID 141237847) has the molecular formula C6H7FN2S and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-cyclopropyl-4-(fluoromethyl)thiadiazole.

Molecular Properties

Compound Name5-cyclopropyl-4-(fluoromethyl)thiadiazole
PubChem CID141237847
Molecular FormulaC6H7FN2S
Molecular Weight158.20 g/mol
Exact Mass158.03
IUPAC Name5-cyclopropyl-4-(fluoromethyl)thiadiazole
SMILESFCc1nnsc1C1CC1
InChIInChI=1S/C6H7FN2S/c7-3-5-6(4-1-2-4)10-9-8-5/h4H,1-3H2
InChIKeyJBGWADZLXQFMMH-UHFFFAOYSA-N
XLogP1.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Cyclopropyl-5-(fluoromethyl)thiadiazole
CID 141237817
4-Methyl-5-propylthiadiazole
CID 12913685
5-Butyl-4-methylthiadiazole
CID 23383489
4,5-Di(propan-2-yl)thiadiazole
CID 59752180
4-Methyl-5-(3-methylbutyl)thiadiazole
CID 59827852
5-Ethyl-4-propan-2-ylthiadiazole
CID 67890638
4-[(2S)-butan-2-yl]-5-methylthiadiazole
CID 68093497
4-Cyclopropyl-1,2,3-thiadiazole-5-carbonitrile
CID 68421991
4-Butan-2-yl-5-methylthiadiazole
CID 77407509
5-Cyclopropyl-4-methylthiadiazole
CID 90839146
4-Methyl-5-(2-methylpropyl)thiadiazole
CID 90941991
5-Methyl-4-(3-methylbutyl)thiadiazole
CID 91028041

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-(fluoromethyl)thiadiazole?
The IUPAC name of 5-cyclopropyl-4-(fluoromethyl)thiadiazole (CID 141237847) is 5-cyclopropyl-4-(fluoromethyl)thiadiazole.
What is the SMILES notation for 5-cyclopropyl-4-(fluoromethyl)thiadiazole?
The canonical SMILES for 5-cyclopropyl-4-(fluoromethyl)thiadiazole is FCc1nnsc1C1CC1.
What is the InChIKey of 5-cyclopropyl-4-(fluoromethyl)thiadiazole?
The InChIKey is JBGWADZLXQFMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2S/c7-3-5-6(4-1-2-4)10-9-8-5/h4H,1-3H2.
What are the key properties of 5-cyclopropyl-4-(fluoromethyl)thiadiazole?
5-cyclopropyl-4-(fluoromethyl)thiadiazole has a molecular weight of 158.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-(fluoromethyl)thiadiazole is sourced from PubChem (CID 141237847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).