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

C9H13BrN2OS — CID 103170912

IUPAC3-bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole
SMILESCCOC1CC(Cc2nc(Br)ns2)C1
InChIInChI=1S/C9H13BrN2OS/c1-2-13-7-3-6(4-7)5-8-11-9(10)12-14-8/h6-7H,2-5H2,1H3
InChIKeyJCAHHMCISAJRKI-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.66
Rot. Bonds4

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

3-bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole (PubChem CID 103170912) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 3-bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole
PubChem CID103170912
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name3-bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole
SMILESCCOC1CC(Cc2nc(Br)ns2)C1
InChIInChI=1S/C9H13BrN2OS/c1-2-13-7-3-6(4-7)5-8-11-9(10)12-14-8/h6-7H,2-5H2,1H3
InChIKeyJCAHHMCISAJRKI-UHFFFAOYSA-N
XLogP2.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Bromo-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943340
3-Bromo-5-(2-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943358
3-Bromo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943407
3-Bromo-5-(3-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102943444
5-[(3-Ethoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine
CID 103167080
5-[(3-Ethoxycyclobutyl)methyl]-3-iodo-1,2,4-thiadiazole
CID 103170914
3-Chloro-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole
CID 103170916
3-Bromo-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole
CID 103560658
3-Bromo-5-(2-ethyloxolan-3-yl)-1,2,4-thiadiazole
CID 105732454
3-Bromo-5-(oxan-3-yl)-1,2,4-thiadiazole
CID 121601592
3-Bromo-5-[2-(oxolan-3-yl)ethyl]-1,2,4-thiadiazole
CID 130802998

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole (CID 103170912) is 3-bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole is CCOC1CC(Cc2nc(Br)ns2)C1.
What is the InChIKey of 3-bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole?
The InChIKey is JCAHHMCISAJRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-2-13-7-3-6(4-7)5-8-11-9(10)12-14-8/h6-7H,2-5H2,1H3.
What are the key properties of 3-bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole?
3-bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole has a molecular weight of 277.19 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole is sourced from PubChem (CID 103170912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).