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

C6H7ClN2OS — CID 162686576

IUPAC3-chloro-5-(1-ethoxyethenyl)-1,2,4-thiadiazole
SMILESC=C(OCC)c1nc(Cl)ns1
InChIInChI=1S/C6H7ClN2OS/c1-3-10-4(2)5-8-6(7)9-11-5/h2-3H2,1H3
InChIKeyMUNDCSSXNCJUHG-UHFFFAOYSA-N
MW190.66 g/mol
LogP2.20
Rot. Bonds3

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

3-chloro-5-(1-ethoxyethenyl)-1,2,4-thiadiazole (PubChem CID 162686576) has the molecular formula C6H7ClN2OS and a molecular weight of 190.66 g/mol. Its IUPAC name is 3-chloro-5-(1-ethoxyethenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-(1-ethoxyethenyl)-1,2,4-thiadiazole
PubChem CID162686576
Molecular FormulaC6H7ClN2OS
Molecular Weight190.66 g/mol
Exact Mass190.00
IUPAC Name3-chloro-5-(1-ethoxyethenyl)-1,2,4-thiadiazole
SMILESC=C(OCC)c1nc(Cl)ns1
InChIInChI=1S/C6H7ClN2OS/c1-3-10-4(2)5-8-6(7)9-11-5/h2-3H2,1H3
InChIKeyMUNDCSSXNCJUHG-UHFFFAOYSA-N
XLogP2.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.66
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-Bromo-5-(1-ethoxyethenyl)-1,2,4-thiadiazole
CID 122508744
5-(1-Ethoxyethenyl)-3-methyl-1,2,4-thiadiazole
CID 170191437
5-(1-Ethoxyethenyl)-1,2,4-thiadiazole
CID 175948159
3-Chloro-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole
CID 102943907
3-Chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole
CID 102943908
3-Chloro-5-(propoxymethyl)-1,2,4-thiadiazole
CID 107948675
3-Chloro-5-(methoxymethyl)-1,2,4-thiadiazole
CID 121601633
3-Chloro-5-(ethoxymethyl)-1,2,4-thiadiazole
CID 121601636

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1-ethoxyethenyl)-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-(1-ethoxyethenyl)-1,2,4-thiadiazole (CID 162686576) is 3-chloro-5-(1-ethoxyethenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-(1-ethoxyethenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-(1-ethoxyethenyl)-1,2,4-thiadiazole is C=C(OCC)c1nc(Cl)ns1.
What is the InChIKey of 3-chloro-5-(1-ethoxyethenyl)-1,2,4-thiadiazole?
The InChIKey is MUNDCSSXNCJUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2OS/c1-3-10-4(2)5-8-6(7)9-11-5/h2-3H2,1H3.
What are the key properties of 3-chloro-5-(1-ethoxyethenyl)-1,2,4-thiadiazole?
3-chloro-5-(1-ethoxyethenyl)-1,2,4-thiadiazole has a molecular weight of 190.66 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1-ethoxyethenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 162686576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).