2-cyclohexyl-5-(difluoromethyl)-1,3,4-thiadiazole

C9H12F2N2S — CID 153404799

IUPAC2-cyclohexyl-5-(difluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)c1nnc(C2CCCCC2)s1
InChIInChI=1S/C9H12F2N2S/c10-7(11)9-13-12-8(14-9)6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyWRJHPLORNXDBLH-UHFFFAOYSA-N
MW218.27 g/mol
LogP3.52
Rot. Bonds2

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

2-cyclohexyl-5-(difluoromethyl)-1,3,4-thiadiazole (PubChem CID 153404799) has the molecular formula C9H12F2N2S and a molecular weight of 218.27 g/mol. Its IUPAC name is 2-cyclohexyl-5-(difluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclohexyl-5-(difluoromethyl)-1,3,4-thiadiazole
PubChem CID153404799
Molecular FormulaC9H12F2N2S
Molecular Weight218.27 g/mol
Exact Mass218.07
IUPAC Name2-cyclohexyl-5-(difluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)c1nnc(C2CCCCC2)s1
InChIInChI=1S/C9H12F2N2S/c10-7(11)9-13-12-8(14-9)6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyWRJHPLORNXDBLH-UHFFFAOYSA-N
XLogP3.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Pentan-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 70672393
2-Octan-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 142253642
4-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine
CID 146389300
2-(Difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole
CID 153456388
2-(Difluoromethyl)-5-(3-methylnonan-3-yl)-1,3,4-thiadiazole
CID 170120734
2-(Difluoromethyl)-5-(4-methyldecan-4-yl)-1,3,4-thiadiazole
CID 170121692
2-Chloro-5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazole
CID 81933620
2-Chloro-5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazole
CID 81933637
2-Chloro-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazole
CID 81933638
2-Bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazole
CID 81933656
2-Bromo-5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazole
CID 81933657
2-Bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazole
CID 81933673

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(difluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-cyclohexyl-5-(difluoromethyl)-1,3,4-thiadiazole (CID 153404799) is 2-cyclohexyl-5-(difluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclohexyl-5-(difluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclohexyl-5-(difluoromethyl)-1,3,4-thiadiazole is FC(F)c1nnc(C2CCCCC2)s1.
What is the InChIKey of 2-cyclohexyl-5-(difluoromethyl)-1,3,4-thiadiazole?
The InChIKey is WRJHPLORNXDBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2S/c10-7(11)9-13-12-8(14-9)6-4-2-1-3-5-6/h6-7H,1-5H2.
What are the key properties of 2-cyclohexyl-5-(difluoromethyl)-1,3,4-thiadiazole?
2-cyclohexyl-5-(difluoromethyl)-1,3,4-thiadiazole has a molecular weight of 218.27 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(difluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 153404799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).