2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole;ethane

C13H24N2S — CID 142514313

IUPAC2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole;ethane
SMILESCC.CC(C)c1nnc(C2CCCCC2)s1
InChIInChI=1S/C11H18N2S.C2H6/c1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyDGWCFGKAGSLFEV-UHFFFAOYSA-N
MW240.42 g/mol
LogP4.74
Rot. Bonds2

About 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole;ethane

2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole;ethane (PubChem CID 142514313) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole;ethane.

Molecular Properties

Compound Name2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole;ethane
PubChem CID142514313
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole;ethane
SMILESCC.CC(C)c1nnc(C2CCCCC2)s1
InChIInChI=1S/C11H18N2S.C2H6/c1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyDGWCFGKAGSLFEV-UHFFFAOYSA-N
XLogP4.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Octan-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 142253642
2-(Difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole
CID 153456388
2,5-Dihexyl-1,3,4-thiadiazole
CID 12639666
2-Cyclohexyl-5-(difluoromethyl)-1,3,4-thiadiazole
CID 153404799
2-Bromo-5-cyclohexyl-1,3,4-thiadiazole
CID 13655457
2,5-Bis(4-butylcyclohexyl)-1,3,4-thiadiazole
CID 15597084
2-(4-Butylcyclohexyl)-5-(4-heptylcyclohexyl)-1,3,4-thiadiazole
CID 15597085
2,5-Bis(4-hexylcyclohexyl)-1,3,4-thiadiazole
CID 15597091
2,5-Bis(4-methylcyclohexyl)-1,3,4-thiadiazole
CID 18714561
2-Cyclohexyl-1,3,4-thiadiazole
CID 19698736
2-[trans-4-(trans-4-n-Propylcyclohexyl)cyclohexyl]-5-propyl-1,3,4-thiadiazole
CID 19879945
2-(2-Ethylhexyl)-1,3,4-thiadiazole
CID 20427074

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole;ethane?
The IUPAC name of 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole;ethane (CID 142514313) is 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole;ethane.
What is the SMILES notation for 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole;ethane?
The canonical SMILES for 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole;ethane is CC.CC(C)c1nnc(C2CCCCC2)s1.
What is the InChIKey of 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole;ethane?
The InChIKey is DGWCFGKAGSLFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S.C2H6/c1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9;1-2/h8-9H,3-7H2,1-2H3;1-2H3.
What are the key properties of 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole;ethane?
2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole;ethane has a molecular weight of 240.42 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole;ethane is sourced from PubChem (CID 142514313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).