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

C5H7ClN2OS — CID 79604486

IUPAC5-chloro-3-(1-methoxyethyl)-1,2,4-thiadiazole
SMILESCOC(C)c1nsc(Cl)n1
InChIInChI=1S/C5H7ClN2OS/c1-3(9-2)4-7-5(6)10-8-4/h3H,1-2H3
InChIKeyBHXZKWCAVLUHLQ-UHFFFAOYSA-N
MW178.64 g/mol
LogP1.90
Rot. Bonds2

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

5-chloro-3-(1-methoxyethyl)-1,2,4-thiadiazole (PubChem CID 79604486) has the molecular formula C5H7ClN2OS and a molecular weight of 178.64 g/mol. Its IUPAC name is 5-chloro-3-(1-methoxyethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(1-methoxyethyl)-1,2,4-thiadiazole
PubChem CID79604486
Molecular FormulaC5H7ClN2OS
Molecular Weight178.64 g/mol
Exact Mass178.00
IUPAC Name5-chloro-3-(1-methoxyethyl)-1,2,4-thiadiazole
SMILESCOC(C)c1nsc(Cl)n1
InChIInChI=1S/C5H7ClN2OS/c1-3(9-2)4-7-5(6)10-8-4/h3H,1-2H3
InChIKeyBHXZKWCAVLUHLQ-UHFFFAOYSA-N
XLogP1.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.64
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-(1-methoxyethyl)-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-methoxyethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(1-methoxyethyl)-1,2,4-thiadiazole (CID 79604486) is 5-chloro-3-(1-methoxyethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(1-methoxyethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(1-methoxyethyl)-1,2,4-thiadiazole is COC(C)c1nsc(Cl)n1.
What is the InChIKey of 5-chloro-3-(1-methoxyethyl)-1,2,4-thiadiazole?
The InChIKey is BHXZKWCAVLUHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2OS/c1-3(9-2)4-7-5(6)10-8-4/h3H,1-2H3.
What are the key properties of 5-chloro-3-(1-methoxyethyl)-1,2,4-thiadiazole?
5-chloro-3-(1-methoxyethyl)-1,2,4-thiadiazole has a molecular weight of 178.64 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1-methoxyethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 79604486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).