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

C9H13IN2OS — CID 103170914

IUPAC5-[(3-ethoxycyclobutyl)methyl]-3-iodo-1,2,4-thiadiazole
SMILESCCOC1CC(Cc2nc(I)ns2)C1
InChIInChI=1S/C9H13IN2OS/c1-2-13-7-3-6(4-7)5-8-11-9(10)12-14-8/h6-7H,2-5H2,1H3
InChIKeyFCPDUSCDHGBYJD-UHFFFAOYSA-N
MW324.19 g/mol
LogP2.50
Rot. Bonds4

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

5-[(3-ethoxycyclobutyl)methyl]-3-iodo-1,2,4-thiadiazole (PubChem CID 103170914) has the molecular formula C9H13IN2OS and a molecular weight of 324.19 g/mol. Its IUPAC name is 5-[(3-ethoxycyclobutyl)methyl]-3-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(3-ethoxycyclobutyl)methyl]-3-iodo-1,2,4-thiadiazole
PubChem CID103170914
Molecular FormulaC9H13IN2OS
Molecular Weight324.19 g/mol
Exact Mass323.98
IUPAC Name5-[(3-ethoxycyclobutyl)methyl]-3-iodo-1,2,4-thiadiazole
SMILESCCOC1CC(Cc2nc(I)ns2)C1
InChIInChI=1S/C9H13IN2OS/c1-2-13-7-3-6(4-7)5-8-11-9(10)12-14-8/h6-7H,2-5H2,1H3
InChIKeyFCPDUSCDHGBYJD-UHFFFAOYSA-N
XLogP2.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-[(3-ethoxycyclobutyl)methyl]-3-iodo-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-Iodo-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943671
3-Iodo-5-(2-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943691
3-Iodo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943741
3-Iodo-5-(3-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102943779
5-[(3-Ethoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine
CID 103167080
3-Bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole
CID 103170912
3-Chloro-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole
CID 103170916
3-Iodo-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole
CID 103560659
5-(2-Ethyloxolan-3-yl)-3-iodo-1,2,4-thiadiazole
CID 105732460
3-Iodo-5-(oxan-3-yl)-1,2,4-thiadiazole
CID 121601631

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-3-iodo-1,2,4-thiadiazole?
The IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-3-iodo-1,2,4-thiadiazole (CID 103170914) is 5-[(3-ethoxycyclobutyl)methyl]-3-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(3-ethoxycyclobutyl)methyl]-3-iodo-1,2,4-thiadiazole?
The canonical SMILES for 5-[(3-ethoxycyclobutyl)methyl]-3-iodo-1,2,4-thiadiazole is CCOC1CC(Cc2nc(I)ns2)C1.
What is the InChIKey of 5-[(3-ethoxycyclobutyl)methyl]-3-iodo-1,2,4-thiadiazole?
The InChIKey is FCPDUSCDHGBYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2OS/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 5-[(3-ethoxycyclobutyl)methyl]-3-iodo-1,2,4-thiadiazole?
5-[(3-ethoxycyclobutyl)methyl]-3-iodo-1,2,4-thiadiazole has a molecular weight of 324.19 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxycyclobutyl)methyl]-3-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 103170914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).