5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine

C10H8ClN3S — CID 5346752

IUPAC5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(/C=C/c2ccccc2Cl)s1
InChIInChI=1S/C10H8ClN3S/c11-8-4-2-1-3-7(8)5-6-9-13-14-10(12)15-9/h1-6H,(H2,12,14)/b6-5+
InChIKeyYPGMOJZDPBVHJE-AATRIKPKSA-N
MW237.72 g/mol
LogP2.94
Rot. Bonds2

About 5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine

5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 5346752) has the molecular formula C10H8ClN3S and a molecular weight of 237.72 g/mol. Its IUPAC name is 5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine
PubChem CID5346752
Molecular FormulaC10H8ClN3S
Molecular Weight237.72 g/mol
Exact Mass237.01
IUPAC Name5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(/C=C/c2ccccc2Cl)s1
InChIInChI=1S/C10H8ClN3S/c11-8-4-2-1-3-7(8)5-6-9-13-14-10(12)15-9/h1-6H,(H2,12,14)/b6-5+
InChIKeyYPGMOJZDPBVHJE-AATRIKPKSA-N
XLogP2.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine (CID 5346752) is 5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(/C=C/c2ccccc2Cl)s1.
What is the InChIKey of 5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YPGMOJZDPBVHJE-AATRIKPKSA-N. The full InChI is InChI=1S/C10H8ClN3S/c11-8-4-2-1-3-7(8)5-6-9-13-14-10(12)15-9/h1-6H,(H2,12,14)/b6-5+.
What are the key properties of 5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine?
5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 237.72 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 5346752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).