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

C8H12N2S — CID 153459185

IUPAC2-(3,3-dimethylcyclobutyl)-1,3,4-thiadiazole
SMILESCC1(C)CC(c2nncs2)C1
InChIInChI=1S/C8H12N2S/c1-8(2)3-6(4-8)7-10-9-5-11-7/h5-6H,3-4H2,1-2H3
InChIKeyYVWDKIUHRGJPJO-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.44
Rot. Bonds1

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

2-(3,3-dimethylcyclobutyl)-1,3,4-thiadiazole (PubChem CID 153459185) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-(3,3-dimethylcyclobutyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3,3-dimethylcyclobutyl)-1,3,4-thiadiazole
PubChem CID153459185
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name2-(3,3-dimethylcyclobutyl)-1,3,4-thiadiazole
SMILESCC1(C)CC(c2nncs2)C1
InChIInChI=1S/C8H12N2S/c1-8(2)3-6(4-8)7-10-9-5-11-7/h5-6H,3-4H2,1-2H3
InChIKeyYVWDKIUHRGJPJO-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-Difluoro-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole
CID 139525068
2-(3-Fluoro-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole
CID 139525069
2-(3,3-Difluoro-1-methylcyclobutyl)-1,3,4-thiadiazole
CID 139525498
2-(1-Ethyl-3,3-difluorocyclobutyl)-1,3,4-thiadiazole
CID 156373479
2-(1-Butan-2-yl-3,3-difluorocyclobutyl)-1,3,4-thiadiazole
CID 156373627
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-(2,2-Dimethylpropyl)-1,3,4-thiadiazole
CID 58695826
2-(4,4-Dimethylpentyl)-1,3,4-thiadiazole
CID 59842134
2-Pentan-3-yl-1,3,4-thiadiazole
CID 90705926
2-(2-Methylbutan-2-yl)-1,3,4-thiadiazole
CID 90878730

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylcyclobutyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3,3-dimethylcyclobutyl)-1,3,4-thiadiazole (CID 153459185) is 2-(3,3-dimethylcyclobutyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3,3-dimethylcyclobutyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3,3-dimethylcyclobutyl)-1,3,4-thiadiazole is CC1(C)CC(c2nncs2)C1.
What is the InChIKey of 2-(3,3-dimethylcyclobutyl)-1,3,4-thiadiazole?
The InChIKey is YVWDKIUHRGJPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-8(2)3-6(4-8)7-10-9-5-11-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(3,3-dimethylcyclobutyl)-1,3,4-thiadiazole?
2-(3,3-dimethylcyclobutyl)-1,3,4-thiadiazole has a molecular weight of 168.26 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylcyclobutyl)-1,3,4-thiadiazole is sourced from PubChem (CID 153459185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).