2-(difluoromethyl)-5-(4-methyldecan-4-yl)-1,3,4-thiadiazole

C14H24F2N2S — CID 170121692

IUPAC2-(difluoromethyl)-5-(4-methyldecan-4-yl)-1,3,4-thiadiazole
SMILESCCCCCCC(C)(CCC)c1nnc(C(F)F)s1
InChIInChI=1S/C14H24F2N2S/c1-4-6-7-8-10-14(3,9-5-2)13-18-17-12(19-13)11(15)16/h11H,4-10H2,1-3H3
InChIKeyGYXSFRFXJGIMOQ-UHFFFAOYSA-N
MW290.42 g/mol
LogP5.50
Rot. Bonds9

About 2-(difluoromethyl)-5-(4-methyldecan-4-yl)-1,3,4-thiadiazole

2-(difluoromethyl)-5-(4-methyldecan-4-yl)-1,3,4-thiadiazole (PubChem CID 170121692) has the molecular formula C14H24F2N2S and a molecular weight of 290.42 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(4-methyldecan-4-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(4-methyldecan-4-yl)-1,3,4-thiadiazole
PubChem CID170121692
Molecular FormulaC14H24F2N2S
Molecular Weight290.42 g/mol
Exact Mass290.16
IUPAC Name2-(difluoromethyl)-5-(4-methyldecan-4-yl)-1,3,4-thiadiazole
SMILESCCCCCCC(C)(CCC)c1nnc(C(F)F)s1
InChIInChI=1S/C14H24F2N2S/c1-4-6-7-8-10-14(3,9-5-2)13-18-17-12(19-13)11(15)16/h11H,4-10H2,1-3H3
InChIKeyGYXSFRFXJGIMOQ-UHFFFAOYSA-N
XLogP5.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.42
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(difluoromethyl)-5-(4-methyldecan-4-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(difluoromethyl)-5-(4-methyldecan-4-yl)-1,3,4-thiadiazole (CID 170121692) is 2-(difluoromethyl)-5-(4-methyldecan-4-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(4-methyldecan-4-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-(4-methyldecan-4-yl)-1,3,4-thiadiazole is CCCCCCC(C)(CCC)c1nnc(C(F)F)s1.
What is the InChIKey of 2-(difluoromethyl)-5-(4-methyldecan-4-yl)-1,3,4-thiadiazole?
The InChIKey is GYXSFRFXJGIMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2S/c1-4-6-7-8-10-14(3,9-5-2)13-18-17-12(19-13)11(15)16/h11H,4-10H2,1-3H3.
What are the key properties of 2-(difluoromethyl)-5-(4-methyldecan-4-yl)-1,3,4-thiadiazole?
2-(difluoromethyl)-5-(4-methyldecan-4-yl)-1,3,4-thiadiazole has a molecular weight of 290.42 g/mol, XLogP of 5.50, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(4-methyldecan-4-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 170121692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).