2-cyclobutyl-1,3,4-thiadiazole

C6H8N2S — CID 149159619

IUPAC2-cyclobutyl-1,3,4-thiadiazole
SMILESc1nnc(C2CCC2)s1
InChIInChI=1S/C6H8N2S/c1-2-5(3-1)6-8-7-4-9-6/h4-5H,1-3H2
InChIKeyPZDYHKKPIRWRBN-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.81
Rot. Bonds1

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

2-cyclobutyl-1,3,4-thiadiazole (PubChem CID 149159619) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 2-cyclobutyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclobutyl-1,3,4-thiadiazole
PubChem CID149159619
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name2-cyclobutyl-1,3,4-thiadiazole
SMILESc1nnc(C2CCC2)s1
InChIInChI=1S/C6H8N2S/c1-2-5(3-1)6-8-7-4-9-6/h4-5H,1-3H2
InChIKeyPZDYHKKPIRWRBN-UHFFFAOYSA-N
XLogP1.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-Difluorocyclobutyl)-1,3,4-thiadiazole
CID 175891081
2-Butan-2-yl-1,3,4-thiadiazole
CID 20466570
2-Butyl-1,3,4-thiadiazole
CID 20551529
2-(2-Methylpropyl)-1,3,4-thiadiazole
CID 20977066
2-Propan-2-yl-1,3,4-thiadiazole
CID 23384811
2-Cyclopentyl-1,3,4-thiadiazole
CID 69048188
2-Pentyl-1,3,4-thiadiazole
CID 69486589
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-Cyclobutyl-5-methyl-1,3,4-thiadiazole
CID 117980651
2-(1-Methylcyclobutyl)-1,3,4-thiadiazole
CID 123563090

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1,3,4-thiadiazole?
The IUPAC name of 2-cyclobutyl-1,3,4-thiadiazole (CID 149159619) is 2-cyclobutyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclobutyl-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclobutyl-1,3,4-thiadiazole is c1nnc(C2CCC2)s1.
What is the InChIKey of 2-cyclobutyl-1,3,4-thiadiazole?
The InChIKey is PZDYHKKPIRWRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-2-5(3-1)6-8-7-4-9-6/h4-5H,1-3H2.
What are the key properties of 2-cyclobutyl-1,3,4-thiadiazole?
2-cyclobutyl-1,3,4-thiadiazole has a molecular weight of 140.21 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1,3,4-thiadiazole is sourced from PubChem (CID 149159619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).