5-chloro-3-ethyl-1,2,4-thiadiazole;ethane

C6H11ClN2S — CID 166552937

IUPAC5-chloro-3-ethyl-1,2,4-thiadiazole;ethane
SMILESCC.CCc1nsc(Cl)n1
InChIInChI=1S/C4H5ClN2S.C2H6/c1-2-3-6-4(5)8-7-3;1-2/h2H2,1H3;1-2H3
InChIKeyFGYAIMBZWPDXCB-UHFFFAOYSA-N
MW178.69 g/mol
LogP2.78
Rot. Bonds1

About 5-chloro-3-ethyl-1,2,4-thiadiazole;ethane

5-chloro-3-ethyl-1,2,4-thiadiazole;ethane (PubChem CID 166552937) has the molecular formula C6H11ClN2S and a molecular weight of 178.69 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1,2,4-thiadiazole;ethane.

Molecular Properties

Compound Name5-chloro-3-ethyl-1,2,4-thiadiazole;ethane
PubChem CID166552937
Molecular FormulaC6H11ClN2S
Molecular Weight178.69 g/mol
Exact Mass178.03
IUPAC Name5-chloro-3-ethyl-1,2,4-thiadiazole;ethane
SMILESCC.CCc1nsc(Cl)n1
InChIInChI=1S/C4H5ClN2S.C2H6/c1-2-3-6-4(5)8-7-3;1-2/h2H2,1H3;1-2H3
InChIKeyFGYAIMBZWPDXCB-UHFFFAOYSA-N
XLogP2.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.69
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Propan-2-yl)-1,2,4-thiadiazol-5-amine
CID 581957
3-Propyl-1,2,4-thiadiazol-5-amine
CID 575489
5-Chloro-3-methyl-1,2,4-thiadiazole
CID 12919159
5-Amino-3-ethyl-1,2,4-thiadiazole
CID 2756430
5-Chloro-3-ethyl-1,2,4-thiadiazole
CID 14763517
5-Chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 46318478
5-Bromo-3-ethyl-1,2,4-thiadiazole
CID 53418423
3-Methyl-5-(tributylstannyl)-1,2,4-thiadiazole
CID 59693891
3,5-Diethyl-1,2,4-thiadiazole
CID 67571441
5-Bromo-3-propyl-1,2,4-thiadiazole
CID 65274018
3-Ethyl-5-fluoro-1,2,4-thiadiazole
CID 123276911
3-Tert-butyl-5-fluoro-1,2,4-thiadiazole
CID 146378287

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-1,2,4-thiadiazole;ethane?
The IUPAC name of 5-chloro-3-ethyl-1,2,4-thiadiazole;ethane (CID 166552937) is 5-chloro-3-ethyl-1,2,4-thiadiazole;ethane.
What is the SMILES notation for 5-chloro-3-ethyl-1,2,4-thiadiazole;ethane?
The canonical SMILES for 5-chloro-3-ethyl-1,2,4-thiadiazole;ethane is CC.CCc1nsc(Cl)n1.
What is the InChIKey of 5-chloro-3-ethyl-1,2,4-thiadiazole;ethane?
The InChIKey is FGYAIMBZWPDXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2S.C2H6/c1-2-3-6-4(5)8-7-3;1-2/h2H2,1H3;1-2H3.
What are the key properties of 5-chloro-3-ethyl-1,2,4-thiadiazole;ethane?
5-chloro-3-ethyl-1,2,4-thiadiazole;ethane has a molecular weight of 178.69 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-1,2,4-thiadiazole;ethane is sourced from PubChem (CID 166552937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).