2-bromo-5-(1-methylcyclobutyl)-1,3,4-thiadiazole

C7H9BrN2S — CID 115039271

IUPAC2-bromo-5-(1-methylcyclobutyl)-1,3,4-thiadiazole
SMILESCC1(c2nnc(Br)s2)CCC1
InChIInChI=1S/C7H9BrN2S/c1-7(3-2-4-7)5-9-10-6(8)11-5/h2-4H2,1H3
InChIKeyFXRYBBQMRNZKCB-UHFFFAOYSA-N
MW233.13 g/mol
LogP2.74
Rot. Bonds1

About 2-bromo-5-(1-methylcyclobutyl)-1,3,4-thiadiazole

2-bromo-5-(1-methylcyclobutyl)-1,3,4-thiadiazole (PubChem CID 115039271) has the molecular formula C7H9BrN2S and a molecular weight of 233.13 g/mol. Its IUPAC name is 2-bromo-5-(1-methylcyclobutyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(1-methylcyclobutyl)-1,3,4-thiadiazole
PubChem CID115039271
Molecular FormulaC7H9BrN2S
Molecular Weight233.13 g/mol
Exact Mass231.97
IUPAC Name2-bromo-5-(1-methylcyclobutyl)-1,3,4-thiadiazole
SMILESCC1(c2nnc(Br)s2)CCC1
InChIInChI=1S/C7H9BrN2S/c1-7(3-2-4-7)5-9-10-6(8)11-5/h2-4H2,1H3
InChIKeyFXRYBBQMRNZKCB-UHFFFAOYSA-N
XLogP2.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-Methylcyclobutyl)-1,3,4-thiadiazole
CID 123563090
1-(5-Bromo-1,3,4-thiadiazol-2-yl)cyclobutane-1-carbonitrile
CID 177049682
2-Bromo-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole
CID 63383446
2-Bromo-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole
CID 63383555
2-Bromo-5-cyclobutyl-1,3,4-thiadiazole
CID 63383901
2-Bromo-5-(3-methylbutyl)-1,3,4-thiadiazole
CID 63383960
2-Bromo-5-pentan-2-yl-1,3,4-thiadiazole
CID 63383963
2-Bromo-5-(2,4,4-trimethylpentyl)-1,3,4-thiadiazole
CID 63384129
2-Bromo-5-(2,3,3-trimethylbutyl)-1,3,4-thiadiazole
CID 63833167
2-Bromo-5-(1-methylcyclopentyl)-1,3,4-thiadiazole
CID 80276051
2-Bromo-5-(1-ethylcyclopentyl)-1,3,4-thiadiazole
CID 80276052
2-Bromo-5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazole
CID 107003163

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-methylcyclobutyl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(1-methylcyclobutyl)-1,3,4-thiadiazole (CID 115039271) is 2-bromo-5-(1-methylcyclobutyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(1-methylcyclobutyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(1-methylcyclobutyl)-1,3,4-thiadiazole is CC1(c2nnc(Br)s2)CCC1.
What is the InChIKey of 2-bromo-5-(1-methylcyclobutyl)-1,3,4-thiadiazole?
The InChIKey is FXRYBBQMRNZKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2S/c1-7(3-2-4-7)5-9-10-6(8)11-5/h2-4H2,1H3.
What are the key properties of 2-bromo-5-(1-methylcyclobutyl)-1,3,4-thiadiazole?
2-bromo-5-(1-methylcyclobutyl)-1,3,4-thiadiazole has a molecular weight of 233.13 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-methylcyclobutyl)-1,3,4-thiadiazole is sourced from PubChem (CID 115039271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).