2-cyclopentyl-5-methyl-1,3,4-thiadiazole;ethane

C12H24N2S — CID 178061310

IUPAC2-cyclopentyl-5-methyl-1,3,4-thiadiazole;ethane
SMILESCC.CC.Cc1nnc(C2CCCC2)s1
InChIInChI=1S/C8H12N2S.2C2H6/c1-6-9-10-8(11-6)7-4-2-3-5-7;2*1-2/h7H,2-5H2,1H3;2*1-2H3
InChIKeyXOUZGUJWSGKNDV-UHFFFAOYSA-N
MW228.40 g/mol
LogP4.56
Rot. Bonds1

About 2-cyclopentyl-5-methyl-1,3,4-thiadiazole;ethane

2-cyclopentyl-5-methyl-1,3,4-thiadiazole;ethane (PubChem CID 178061310) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 2-cyclopentyl-5-methyl-1,3,4-thiadiazole;ethane.

Molecular Properties

Compound Name2-cyclopentyl-5-methyl-1,3,4-thiadiazole;ethane
PubChem CID178061310
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name2-cyclopentyl-5-methyl-1,3,4-thiadiazole;ethane
SMILESCC.CC.Cc1nnc(C2CCCC2)s1
InChIInChI=1S/C8H12N2S.2C2H6/c1-6-9-10-8(11-6)7-4-2-3-5-7;2*1-2/h7H,2-5H2,1H3;2*1-2H3
InChIKeyXOUZGUJWSGKNDV-UHFFFAOYSA-N
XLogP4.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Bromo-5-cyclopentyl-1,3,4-thiadiazole
CID 63383902
2-Octan-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 142253642
2-Cyclohexyl-5-methyl-1,3,4-thiadiazole
CID 58853370
2-(2-Methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole
CID 59287371
2-Tert-butyl-5-(4-methylcyclohexyl)-1,3,4-thiadiazole
CID 59476461
2-Tert-butyl-5-(2,4-dimethylpentan-2-yl)-1,3,4-thiadiazole
CID 59593317
2,5-Dipentyl-1,3,4-thiadiazole
CID 69768911
2-Butyl-5-propan-2-yl-1,3,4-thiadiazole
CID 70641586
2-Ethyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole
CID 70849933
2-Cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole
CID 71131073
2-Methyl-5-(2-methylbutyl)-1,3,4-thiadiazole
CID 89033718
2-Tert-butyl-5-cyclobutyl-1,3,4-thiadiazole
CID 89878276

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-methyl-1,3,4-thiadiazole;ethane?
The IUPAC name of 2-cyclopentyl-5-methyl-1,3,4-thiadiazole;ethane (CID 178061310) is 2-cyclopentyl-5-methyl-1,3,4-thiadiazole;ethane.
What is the SMILES notation for 2-cyclopentyl-5-methyl-1,3,4-thiadiazole;ethane?
The canonical SMILES for 2-cyclopentyl-5-methyl-1,3,4-thiadiazole;ethane is CC.CC.Cc1nnc(C2CCCC2)s1.
What is the InChIKey of 2-cyclopentyl-5-methyl-1,3,4-thiadiazole;ethane?
The InChIKey is XOUZGUJWSGKNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S.2C2H6/c1-6-9-10-8(11-6)7-4-2-3-5-7;2*1-2/h7H,2-5H2,1H3;2*1-2H3.
What are the key properties of 2-cyclopentyl-5-methyl-1,3,4-thiadiazole;ethane?
2-cyclopentyl-5-methyl-1,3,4-thiadiazole;ethane has a molecular weight of 228.40 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-methyl-1,3,4-thiadiazole;ethane is sourced from PubChem (CID 178061310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).