5-chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole

C6H9ClN2OS — CID 65267198

IUPAC5-chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole
SMILESCCOC(C)c1nsc(Cl)n1
InChIInChI=1S/C6H9ClN2OS/c1-3-10-4(2)5-8-6(7)11-9-5/h4H,3H2,1-2H3
InChIKeyVBOYOPWPLCDKBU-UHFFFAOYSA-N
MW192.67 g/mol
LogP2.29
Rot. Bonds3

About 5-chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole

5-chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole (PubChem CID 65267198) has the molecular formula C6H9ClN2OS and a molecular weight of 192.67 g/mol. Its IUPAC name is 5-chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole
PubChem CID65267198
Molecular FormulaC6H9ClN2OS
Molecular Weight192.67 g/mol
Exact Mass192.01
IUPAC Name5-chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole
SMILESCCOC(C)c1nsc(Cl)n1
InChIInChI=1S/C6H9ClN2OS/c1-3-10-4(2)5-8-6(7)11-9-5/h4H,3H2,1-2H3
InChIKeyVBOYOPWPLCDKBU-UHFFFAOYSA-N
XLogP2.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.67
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-(1-ethoxyethyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole (CID 65267198) is 5-chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole is CCOC(C)c1nsc(Cl)n1.
What is the InChIKey of 5-chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole?
The InChIKey is VBOYOPWPLCDKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2OS/c1-3-10-4(2)5-8-6(7)11-9-5/h4H,3H2,1-2H3.
What are the key properties of 5-chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole?
5-chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole has a molecular weight of 192.67 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 65267198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).