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

C8H12N2S — CID 90287933

IUPAC2-cyclopentyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(C2CCCC2)s1
InChIInChI=1S/C8H12N2S/c1-6-9-10-8(11-6)7-4-2-3-5-7/h7H,2-5H2,1H3
InChIKeyYFCVRZZDBPHQRT-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.50
Rot. Bonds1

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

2-cyclopentyl-5-methyl-1,3,4-thiadiazole (PubChem CID 90287933) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-cyclopentyl-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopentyl-5-methyl-1,3,4-thiadiazole
PubChem CID90287933
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name2-cyclopentyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(C2CCCC2)s1
InChIInChI=1S/C8H12N2S/c1-6-9-10-8(11-6)7-4-2-3-5-7/h7H,2-5H2,1H3
InChIKeyYFCVRZZDBPHQRT-UHFFFAOYSA-N
XLogP2.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.50
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-(Cyclopentylmethyl)-1,3,4-thiadiazole
CID 91072838
2-(5-Methylnonan-5-yl)-5-(2-methylpropyl)-1,3,4-thiadiazole
CID 91153040

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopentyl-5-methyl-1,3,4-thiadiazole (CID 90287933) is 2-cyclopentyl-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopentyl-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopentyl-5-methyl-1,3,4-thiadiazole is Cc1nnc(C2CCCC2)s1.
What is the InChIKey of 2-cyclopentyl-5-methyl-1,3,4-thiadiazole?
The InChIKey is YFCVRZZDBPHQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6-9-10-8(11-6)7-4-2-3-5-7/h7H,2-5H2,1H3.
What are the key properties of 2-cyclopentyl-5-methyl-1,3,4-thiadiazole?
2-cyclopentyl-5-methyl-1,3,4-thiadiazole has a molecular weight of 168.26 g/mol, XLogP of 2.50, 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 is sourced from PubChem (CID 90287933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).