3-bromo-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole

C8H11BrN2OS — CID 103560658

IUPAC3-bromo-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole
SMILESCOC1(Cc2nc(Br)ns2)CCC1
InChIInChI=1S/C8H11BrN2OS/c1-12-8(3-2-4-8)5-6-10-7(9)11-13-6/h2-5H2,1H3
InChIKeyLXGUFHOGPIXBKM-UHFFFAOYSA-N
MW263.16 g/mol
LogP2.41
Rot. Bonds3

About 3-bromo-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole

3-bromo-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole (PubChem CID 103560658) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is 3-bromo-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole
PubChem CID103560658
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name3-bromo-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole
SMILESCOC1(Cc2nc(Br)ns2)CCC1
InChIInChI=1S/C8H11BrN2OS/c1-12-8(3-2-4-8)5-6-10-7(9)11-13-6/h2-5H2,1H3
InChIKeyLXGUFHOGPIXBKM-UHFFFAOYSA-N
XLogP2.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Bromo-5-(2-methoxy-2-methylpropyl)-1,2,4-thiadiazole
CID 103028664
3-Bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole
CID 103170912
5-[(1-Methoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine
CID 103558415
3-Iodo-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole
CID 103560659
3-Chloro-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole
CID 103560660

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole (CID 103560658) is 3-bromo-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole is COC1(Cc2nc(Br)ns2)CCC1.
What is the InChIKey of 3-bromo-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole?
The InChIKey is LXGUFHOGPIXBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-12-8(3-2-4-8)5-6-10-7(9)11-13-6/h2-5H2,1H3.
What are the key properties of 3-bromo-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole?
3-bromo-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole has a molecular weight of 263.16 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole is sourced from PubChem (CID 103560658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).