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

C6H7BrN2S — CID 102618101

IUPAC5-bromo-3-(1-methylcyclopropyl)-1,2,4-thiadiazole
SMILESCC1(c2nsc(Br)n2)CC1
InChIInChI=1S/C6H7BrN2S/c1-6(2-3-6)4-8-5(7)10-9-4/h2-3H2,1H3
InChIKeyXYZYZBIWVQSPDN-UHFFFAOYSA-N
MW219.11 g/mol
LogP2.35
Rot. Bonds1

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

5-bromo-3-(1-methylcyclopropyl)-1,2,4-thiadiazole (PubChem CID 102618101) has the molecular formula C6H7BrN2S and a molecular weight of 219.11 g/mol. Its IUPAC name is 5-bromo-3-(1-methylcyclopropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(1-methylcyclopropyl)-1,2,4-thiadiazole
PubChem CID102618101
Molecular FormulaC6H7BrN2S
Molecular Weight219.11 g/mol
Exact Mass217.95
IUPAC Name5-bromo-3-(1-methylcyclopropyl)-1,2,4-thiadiazole
SMILESCC1(c2nsc(Br)n2)CC1
InChIInChI=1S/C6H7BrN2S/c1-6(2-3-6)4-8-5(7)10-9-4/h2-3H2,1H3
InChIKeyXYZYZBIWVQSPDN-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-3-ethyl-1,2,4-thiadiazole
CID 53418423
5-Bromo-3-cyclopropyl-1,2,4-thiadiazole
CID 65274017
5-Bromo-3-propyl-1,2,4-thiadiazole
CID 65274018
5-Chloro-3-(1-methylcyclopropyl)-1,2,4-thiadiazol
CID 46183294
5-Bromo-3-isopropyl-1,2,4-thiadiazole
CID 53408113
5-Bromo-3-tert-butyl-1,2,4-thiadiazole
CID 65274016
3-(1-Methylcyclopropyl)-1,2,4-thiadiazol-5-amine
CID 80464673
5-Methyl-3-(1-methylcyclopropyl)-1,2,4-thiadiazole
CID 135170533
3-Methyl-5-(1-methylcyclopropyl)-1,2,4-thiadiazole
CID 135170732
5-Bromo-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 83889791
5-Bromo-3-butyl-1,2,4-thiadiazole
CID 102617964
5-Bromo-3-(3-methylbutyl)-1,2,4-thiadiazole
CID 102618007

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-methylcyclopropyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(1-methylcyclopropyl)-1,2,4-thiadiazole (CID 102618101) is 5-bromo-3-(1-methylcyclopropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(1-methylcyclopropyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(1-methylcyclopropyl)-1,2,4-thiadiazole is CC1(c2nsc(Br)n2)CC1.
What is the InChIKey of 5-bromo-3-(1-methylcyclopropyl)-1,2,4-thiadiazole?
The InChIKey is XYZYZBIWVQSPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2S/c1-6(2-3-6)4-8-5(7)10-9-4/h2-3H2,1H3.
What are the key properties of 5-bromo-3-(1-methylcyclopropyl)-1,2,4-thiadiazole?
5-bromo-3-(1-methylcyclopropyl)-1,2,4-thiadiazole has a molecular weight of 219.11 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-methylcyclopropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).