5-chloro-3-[(E)-2-phenylethenyl]-1,2,4-thiadiazole

C10H7ClN2S — CID 67697151

IUPAC5-chloro-3-[(E)-2-phenylethenyl]-1,2,4-thiadiazole
SMILESClc1nc(/C=C/c2ccccc2)ns1
InChIInChI=1S/C10H7ClN2S/c11-10-12-9(13-14-10)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKeyXEVMLHBZYODNOQ-VOTSOKGWSA-N
MW222.70 g/mol
LogP3.36
Rot. Bonds2

About 5-chloro-3-[(E)-2-phenylethenyl]-1,2,4-thiadiazole

5-chloro-3-[(E)-2-phenylethenyl]-1,2,4-thiadiazole (PubChem CID 67697151) has the molecular formula C10H7ClN2S and a molecular weight of 222.70 g/mol. Its IUPAC name is 5-chloro-3-[(E)-2-phenylethenyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-[(E)-2-phenylethenyl]-1,2,4-thiadiazole
PubChem CID67697151
Molecular FormulaC10H7ClN2S
Molecular Weight222.70 g/mol
Exact Mass222.00
IUPAC Name5-chloro-3-[(E)-2-phenylethenyl]-1,2,4-thiadiazole
SMILESClc1nc(/C=C/c2ccccc2)ns1
InChIInChI=1S/C10H7ClN2S/c11-10-12-9(13-14-10)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKeyXEVMLHBZYODNOQ-VOTSOKGWSA-N
XLogP3.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(E)-2-phenylethenyl]-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-[(E)-2-phenylethenyl]-1,2,4-thiadiazole (CID 67697151) is 5-chloro-3-[(E)-2-phenylethenyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-[(E)-2-phenylethenyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-[(E)-2-phenylethenyl]-1,2,4-thiadiazole is Clc1nc(/C=C/c2ccccc2)ns1.
What is the InChIKey of 5-chloro-3-[(E)-2-phenylethenyl]-1,2,4-thiadiazole?
The InChIKey is XEVMLHBZYODNOQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H7ClN2S/c11-10-12-9(13-14-10)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+.
What are the key properties of 5-chloro-3-[(E)-2-phenylethenyl]-1,2,4-thiadiazole?
5-chloro-3-[(E)-2-phenylethenyl]-1,2,4-thiadiazole has a molecular weight of 222.70 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(E)-2-phenylethenyl]-1,2,4-thiadiazole is sourced from PubChem (CID 67697151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).