2-cyclopentyl-5-ethyl-1,3,4-thiadiazole

C9H14N2S — CID 142566147

IUPAC2-cyclopentyl-5-ethyl-1,3,4-thiadiazole
SMILESCCc1nnc(C2CCCC2)s1
InChIInChI=1S/C9H14N2S/c1-2-8-10-11-9(12-8)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyVZRGIXOQXLWQHD-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.76
Rot. Bonds2

About 2-cyclopentyl-5-ethyl-1,3,4-thiadiazole

2-cyclopentyl-5-ethyl-1,3,4-thiadiazole (PubChem CID 142566147) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-cyclopentyl-5-ethyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopentyl-5-ethyl-1,3,4-thiadiazole
PubChem CID142566147
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name2-cyclopentyl-5-ethyl-1,3,4-thiadiazole
SMILESCCc1nnc(C2CCCC2)s1
InChIInChI=1S/C9H14N2S/c1-2-8-10-11-9(12-8)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyVZRGIXOQXLWQHD-UHFFFAOYSA-N
XLogP2.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.76
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-Cyclohexyl-5-methyl-1,3,4-thiadiazole
CID 58853370
2-Tert-butyl-5-(4-methylcyclohexyl)-1,3,4-thiadiazole
CID 59476461
2-Methyl-5-pentyl-1,3,4-thiadiazole
CID 67829886
2-Cyclopentyl-1,3,4-thiadiazole
CID 69048188
2-Butyl-5-propan-2-yl-1,3,4-thiadiazole
CID 70641586
2-Cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole
CID 71131073
2-Ethyl-5-(2-methylpropyl)-1,3,4-thiadiazole
CID 88991298
2-Methyl-5-(2-methylbutyl)-1,3,4-thiadiazole
CID 89033718
2-Methyl-5-(4-methylcyclohexyl)-1,3,4-thiadiazole
CID 89949743
2-Cyclopentyl-5-methyl-1,3,4-thiadiazole
CID 90287933
2-(Cyclopentylmethyl)-1,3,4-thiadiazole
CID 91072838

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-ethyl-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopentyl-5-ethyl-1,3,4-thiadiazole (CID 142566147) is 2-cyclopentyl-5-ethyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopentyl-5-ethyl-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopentyl-5-ethyl-1,3,4-thiadiazole is CCc1nnc(C2CCCC2)s1.
What is the InChIKey of 2-cyclopentyl-5-ethyl-1,3,4-thiadiazole?
The InChIKey is VZRGIXOQXLWQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-2-8-10-11-9(12-8)7-5-3-4-6-7/h7H,2-6H2,1H3.
What are the key properties of 2-cyclopentyl-5-ethyl-1,3,4-thiadiazole?
2-cyclopentyl-5-ethyl-1,3,4-thiadiazole has a molecular weight of 182.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-ethyl-1,3,4-thiadiazole is sourced from PubChem (CID 142566147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).