5-(difluoromethoxy)-3-pentyl-1,2,4-thiadiazole

C8H12F2N2OS — CID 67720931

IUPAC5-(difluoromethoxy)-3-pentyl-1,2,4-thiadiazole
SMILESCCCCCc1nsc(OC(F)F)n1
InChIInChI=1S/C8H12F2N2OS/c1-2-3-4-5-6-11-8(14-12-6)13-7(9)10/h7H,2-5H2,1H3
InChIKeyNGRKCONEERHXCV-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.87
Rot. Bonds6

About 5-(difluoromethoxy)-3-pentyl-1,2,4-thiadiazole

5-(difluoromethoxy)-3-pentyl-1,2,4-thiadiazole (PubChem CID 67720931) has the molecular formula C8H12F2N2OS and a molecular weight of 222.26 g/mol. Its IUPAC name is 5-(difluoromethoxy)-3-pentyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-3-pentyl-1,2,4-thiadiazole
PubChem CID67720931
Molecular FormulaC8H12F2N2OS
Molecular Weight222.26 g/mol
Exact Mass222.06
IUPAC Name5-(difluoromethoxy)-3-pentyl-1,2,4-thiadiazole
SMILESCCCCCc1nsc(OC(F)F)n1
InChIInChI=1S/C8H12F2N2OS/c1-2-3-4-5-6-11-8(14-12-6)13-7(9)10/h7H,2-5H2,1H3
InChIKeyNGRKCONEERHXCV-UHFFFAOYSA-N
XLogP2.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-3-pentyl-1,2,4-thiadiazole?
The IUPAC name of 5-(difluoromethoxy)-3-pentyl-1,2,4-thiadiazole (CID 67720931) is 5-(difluoromethoxy)-3-pentyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(difluoromethoxy)-3-pentyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(difluoromethoxy)-3-pentyl-1,2,4-thiadiazole is CCCCCc1nsc(OC(F)F)n1.
What is the InChIKey of 5-(difluoromethoxy)-3-pentyl-1,2,4-thiadiazole?
The InChIKey is NGRKCONEERHXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2OS/c1-2-3-4-5-6-11-8(14-12-6)13-7(9)10/h7H,2-5H2,1H3.
What are the key properties of 5-(difluoromethoxy)-3-pentyl-1,2,4-thiadiazole?
5-(difluoromethoxy)-3-pentyl-1,2,4-thiadiazole has a molecular weight of 222.26 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-3-pentyl-1,2,4-thiadiazole is sourced from PubChem (CID 67720931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).