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

C8H12N2S — CID 91072838

IUPAC2-(cyclopentylmethyl)-1,3,4-thiadiazole
SMILESc1nnc(CC2CCCC2)s1
InChIInChI=1S/C8H12N2S/c1-2-4-7(3-1)5-8-10-9-6-11-8/h6-7H,1-5H2
InChIKeyPXMYLLCDDWZCMF-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.27
Rot. Bonds2

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

2-(cyclopentylmethyl)-1,3,4-thiadiazole (PubChem CID 91072838) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-1,3,4-thiadiazole
PubChem CID91072838
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name2-(cyclopentylmethyl)-1,3,4-thiadiazole
SMILESc1nnc(CC2CCCC2)s1
InChIInChI=1S/C8H12N2S/c1-2-4-7(3-1)5-8-10-9-6-11-8/h6-7H,1-5H2
InChIKeyPXMYLLCDDWZCMF-UHFFFAOYSA-N
XLogP2.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.27
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-(4-Ethylcyclohexyl)-1,3,4-thiadiazole
CID 68309407
2-Cyclopentyl-1,3,4-thiadiazole
CID 69048188
2-Hexyl-1,3,4-thiadiazole
CID 76541464
2-Cyclopentyl-5-methyl-1,3,4-thiadiazole
CID 90287933
2-Pentan-3-yl-1,3,4-thiadiazole
CID 90705926
2-Hexan-2-yl-1,3,4-thiadiazole
CID 91020221
2-Pentan-2-yl-1,3,4-thiadiazole
CID 91380838
2-Heptan-4-yl-1,3,4-thiadiazole
CID 123906730
2-Tridecan-7-yl-1,3,4-thiadiazole
CID 126513101

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(cyclopentylmethyl)-1,3,4-thiadiazole (CID 91072838) is 2-(cyclopentylmethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(cyclopentylmethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(cyclopentylmethyl)-1,3,4-thiadiazole is c1nnc(CC2CCCC2)s1.
What is the InChIKey of 2-(cyclopentylmethyl)-1,3,4-thiadiazole?
The InChIKey is PXMYLLCDDWZCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-2-4-7(3-1)5-8-10-9-6-11-8/h6-7H,1-5H2.
What are the key properties of 2-(cyclopentylmethyl)-1,3,4-thiadiazole?
2-(cyclopentylmethyl)-1,3,4-thiadiazole has a molecular weight of 168.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 91072838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).