3-propyl-5-(trifluoromethyl)-1,2,4-thiadiazole

C6H7F3N2S — CID 91804931

IUPAC3-propyl-5-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCCCc1nsc(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N2S/c1-2-3-4-10-5(12-11-4)6(7,8)9/h2-3H2,1H3
InChIKeyAVBIWUOKENFXSE-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.51
Rot. Bonds2

About 3-propyl-5-(trifluoromethyl)-1,2,4-thiadiazole

3-propyl-5-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 91804931) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-propyl-5-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-propyl-5-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID91804931
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name3-propyl-5-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCCCc1nsc(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N2S/c1-2-3-4-10-5(12-11-4)6(7,8)9/h2-3H2,1H3
InChIKeyAVBIWUOKENFXSE-UHFFFAOYSA-N
XLogP2.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-5-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-propyl-5-(trifluoromethyl)-1,2,4-thiadiazole (CID 91804931) is 3-propyl-5-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-propyl-5-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-propyl-5-(trifluoromethyl)-1,2,4-thiadiazole is CCCc1nsc(C(F)(F)F)n1.
What is the InChIKey of 3-propyl-5-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is AVBIWUOKENFXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c1-2-3-4-10-5(12-11-4)6(7,8)9/h2-3H2,1H3.
What are the key properties of 3-propyl-5-(trifluoromethyl)-1,2,4-thiadiazole?
3-propyl-5-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 196.20 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 91804931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).