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

C10H9N3S — CID 5340173

IUPAC5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(/C=C/c2ccccc2)s1
InChIInChI=1S/C10H9N3S/c11-10-13-12-9(14-10)7-6-8-4-2-1-3-5-8/h1-7H,(H2,11,13)/b7-6+
InChIKeyMFAWSDUTTXHYTR-VOTSOKGWSA-N
MW203.27 g/mol
LogP2.29
Rot. Bonds2

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

5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 5340173) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-amine
PubChem CID5340173
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(/C=C/c2ccccc2)s1
InChIInChI=1S/C10H9N3S/c11-10-13-12-9(14-10)7-6-8-4-2-1-3-5-8/h1-7H,(H2,11,13)/b7-6+
InChIKeyMFAWSDUTTXHYTR-VOTSOKGWSA-N
XLogP2.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-amine (CID 5340173) is 5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(/C=C/c2ccccc2)s1.
What is the InChIKey of 5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MFAWSDUTTXHYTR-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H9N3S/c11-10-13-12-9(14-10)7-6-8-4-2-1-3-5-8/h1-7H,(H2,11,13)/b7-6+.
What are the key properties of 5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-amine?
5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 203.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 5340173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).