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

C7H10N2S — CID 178118735

IUPAC2-(3-methylcyclobutyl)-1,3,4-thiadiazole
SMILESCC1CC(c2nncs2)C1
InChIInChI=1S/C7H10N2S/c1-5-2-6(3-5)7-9-8-4-10-7/h4-6H,2-3H2,1H3
InChIKeyXUNPZUHATSJGQI-UHFFFAOYSA-N
MW154.24 g/mol
LogP2.05
Rot. Bonds1

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

2-(3-methylcyclobutyl)-1,3,4-thiadiazole (PubChem CID 178118735) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 2-(3-methylcyclobutyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-methylcyclobutyl)-1,3,4-thiadiazole
PubChem CID178118735
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name2-(3-methylcyclobutyl)-1,3,4-thiadiazole
SMILESCC1CC(c2nncs2)C1
InChIInChI=1S/C7H10N2S/c1-5-2-6(3-5)7-9-8-4-10-7/h4-6H,2-3H2,1H3
InChIKeyXUNPZUHATSJGQI-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-Difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole
CID 139525498
2-(3,3-Difluorocyclobutyl)-1,3,4-thiadiazole
CID 175891081
2-(2-Ethylhexyl)-1,3,4-thiadiazole
CID 20427074
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-(4,4-Dimethylpentyl)-1,3,4-thiadiazole
CID 59842134
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclobutyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-methylcyclobutyl)-1,3,4-thiadiazole (CID 178118735) is 2-(3-methylcyclobutyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-methylcyclobutyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-methylcyclobutyl)-1,3,4-thiadiazole is CC1CC(c2nncs2)C1.
What is the InChIKey of 2-(3-methylcyclobutyl)-1,3,4-thiadiazole?
The InChIKey is XUNPZUHATSJGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-5-2-6(3-5)7-9-8-4-10-7/h4-6H,2-3H2,1H3.
What are the key properties of 2-(3-methylcyclobutyl)-1,3,4-thiadiazole?
2-(3-methylcyclobutyl)-1,3,4-thiadiazole has a molecular weight of 154.24 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclobutyl)-1,3,4-thiadiazole is sourced from PubChem (CID 178118735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).