2-(4-methylcyclohexyl)-1,3,4-thiadiazole

C9H14N2S — CID 147802295

IUPAC2-(4-methylcyclohexyl)-1,3,4-thiadiazole
SMILESCC1CCC(c2nncs2)CC1
InChIInChI=1S/C9H14N2S/c1-7-2-4-8(5-3-7)9-11-10-6-12-9/h6-8H,2-5H2,1H3
InChIKeyHLTCBTMIYFFTGZ-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.83
Rot. Bonds1

About 2-(4-methylcyclohexyl)-1,3,4-thiadiazole

2-(4-methylcyclohexyl)-1,3,4-thiadiazole (PubChem CID 147802295) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-1,3,4-thiadiazole
PubChem CID147802295
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name2-(4-methylcyclohexyl)-1,3,4-thiadiazole
SMILESCC1CCC(c2nncs2)CC1
InChIInChI=1S/C9H14N2S/c1-7-2-4-8(5-3-7)9-11-10-6-12-9/h6-8H,2-5H2,1H3
InChIKeyHLTCBTMIYFFTGZ-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclohexyl-1,3,4-thiadiazole
CID 19698736
2-(2-Ethylhexyl)-1,3,4-thiadiazole
CID 20427074
2-(2-Propan-2-yloctyl)-1,3,4-thiadiazole
CID 20429659
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
2-Cyclopentyl-1,3,4-thiadiazole
CID 69048188
2-Ethyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole
CID 70849933
2-Cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole
CID 71131073
2-Hexyl-1,3,4-thiadiazole
CID 76541464
2-Methyl-5-(4-methylcyclohexyl)-1,3,4-thiadiazole
CID 89949743
2-Pentan-3-yl-1,3,4-thiadiazole
CID 90705926

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-methylcyclohexyl)-1,3,4-thiadiazole (CID 147802295) is 2-(4-methylcyclohexyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-methylcyclohexyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-methylcyclohexyl)-1,3,4-thiadiazole is CC1CCC(c2nncs2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-1,3,4-thiadiazole?
The InChIKey is HLTCBTMIYFFTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7-2-4-8(5-3-7)9-11-10-6-12-9/h6-8H,2-5H2,1H3.
What are the key properties of 2-(4-methylcyclohexyl)-1,3,4-thiadiazole?
2-(4-methylcyclohexyl)-1,3,4-thiadiazole has a molecular weight of 182.29 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-1,3,4-thiadiazole is sourced from PubChem (CID 147802295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).