2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole

C14H24N2S — CID 70849963

IUPAC2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole
SMILESCCC1CCC(c2nnc(C(C)(C)C)s2)CC1
InChIInChI=1S/C14H24N2S/c1-5-10-6-8-11(9-7-10)12-15-16-13(17-12)14(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyZQPZFLROSOAZJJ-UHFFFAOYSA-N
MW252.43 g/mol
LogP4.52
Rot. Bonds2

About 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole

2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole (PubChem CID 70849963) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole
PubChem CID70849963
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole
SMILESCCC1CCC(c2nnc(C(C)(C)C)s2)CC1
InChIInChI=1S/C14H24N2S/c1-5-10-6-8-11(9-7-10)12-15-16-13(17-12)14(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyZQPZFLROSOAZJJ-UHFFFAOYSA-N
XLogP4.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 54.52
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-(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
2,5-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-[trans-4-(trans-4-n-Propylcyclohexyl)cyclohexyl]-5-propyl-1,3,4-thiadiazole
CID 19879945
2-Cyclohexyl-5-methyl-1,3,4-thiadiazole
CID 58853370
2-Tert-butyl-5-(4-methylcyclohexyl)-1,3,4-thiadiazole
CID 59476461
2-(4-Ethylcyclohexyl)-1,3,4-thiadiazole
CID 68309407

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole?
The IUPAC name of 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole (CID 70849963) is 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole is CCC1CCC(c2nnc(C(C)(C)C)s2)CC1.
What is the InChIKey of 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole?
The InChIKey is ZQPZFLROSOAZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-5-10-6-8-11(9-7-10)12-15-16-13(17-12)14(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole?
2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole has a molecular weight of 252.43 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole is sourced from PubChem (CID 70849963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).