2-cyclopentyl-1,3,4-thiadiazole

C7H10N2S — CID 69048188

IUPAC2-cyclopentyl-1,3,4-thiadiazole
SMILESc1nnc(C2CCCC2)s1
InChIInChI=1S/C7H10N2S/c1-2-4-6(3-1)7-9-8-5-10-7/h5-6H,1-4H2
InChIKeyZVFHLHVSCVEEGK-UHFFFAOYSA-N
MW154.24 g/mol
LogP2.20
Rot. Bonds1

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

2-cyclopentyl-1,3,4-thiadiazole (PubChem CID 69048188) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 2-cyclopentyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopentyl-1,3,4-thiadiazole
PubChem CID69048188
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name2-cyclopentyl-1,3,4-thiadiazole
SMILESc1nnc(C2CCCC2)s1
InChIInChI=1S/C7H10N2S/c1-2-4-6(3-1)7-9-8-5-10-7/h5-6H,1-4H2
InChIKeyZVFHLHVSCVEEGK-UHFFFAOYSA-N
XLogP2.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopentyl-1,3,4-thiadiazole (CID 69048188) is 2-cyclopentyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopentyl-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopentyl-1,3,4-thiadiazole is c1nnc(C2CCCC2)s1.
What is the InChIKey of 2-cyclopentyl-1,3,4-thiadiazole?
The InChIKey is ZVFHLHVSCVEEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-2-4-6(3-1)7-9-8-5-10-7/h5-6H,1-4H2.
What are the key properties of 2-cyclopentyl-1,3,4-thiadiazole?
2-cyclopentyl-1,3,4-thiadiazole has a molecular weight of 154.24 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1,3,4-thiadiazole is sourced from PubChem (CID 69048188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).