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

C7H10N2S — CID 178118738

IUPAC2-(cyclobutylmethyl)-1,3,4-thiadiazole
SMILESc1nnc(CC2CCC2)s1
InChIInChI=1S/C7H10N2S/c1-2-6(3-1)4-7-9-8-5-10-7/h5-6H,1-4H2
InChIKeyGZSJFHQAXQZWRM-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.88
Rot. Bonds2

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

2-(cyclobutylmethyl)-1,3,4-thiadiazole (PubChem CID 178118738) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1,3,4-thiadiazole
PubChem CID178118738
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name2-(cyclobutylmethyl)-1,3,4-thiadiazole
SMILESc1nnc(CC2CCC2)s1
InChIInChI=1S/C7H10N2S/c1-2-6(3-1)4-7-9-8-5-10-7/h5-6H,1-4H2
InChIKeyGZSJFHQAXQZWRM-UHFFFAOYSA-N
XLogP1.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Bromo-5-(cyclobutylmethyl)-1,3,4-thiadiazole
CID 103166579
2-(3,3-Difluorocyclobutyl)-1,3,4-thiadiazole
CID 175891081
2-Cyclohexyl-1,3,4-thiadiazole
CID 19698736
2-(2-Ethylhexyl)-1,3,4-thiadiazole
CID 20427074
2-Butan-2-yl-1,3,4-thiadiazole
CID 20466570
2-(2-Methylpropyl)-1,3,4-thiadiazole
CID 20977066
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-(Cyclopentylmethyl)-1,3,4-thiadiazole
CID 91072838
2-Pentan-2-yl-1,3,4-thiadiazole
CID 91380838

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(cyclobutylmethyl)-1,3,4-thiadiazole (CID 178118738) is 2-(cyclobutylmethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(cyclobutylmethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(cyclobutylmethyl)-1,3,4-thiadiazole is c1nnc(CC2CCC2)s1.
What is the InChIKey of 2-(cyclobutylmethyl)-1,3,4-thiadiazole?
The InChIKey is GZSJFHQAXQZWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-2-6(3-1)4-7-9-8-5-10-7/h5-6H,1-4H2.
What are the key properties of 2-(cyclobutylmethyl)-1,3,4-thiadiazole?
2-(cyclobutylmethyl)-1,3,4-thiadiazole has a molecular weight of 154.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 178118738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).