5-(4-ethenylphenyl)-N-ethyl-1,3,4-thiadiazol-2-amine

C12H13N3S — CID 67236305

IUPAC5-(4-ethenylphenyl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESC=Cc1ccc(-c2nnc(NCC)s2)cc1
InChIInChI=1S/C12H13N3S/c1-3-9-5-7-10(8-6-9)11-14-15-12(16-11)13-4-2/h3,5-8H,1,4H2,2H3,(H,13,15)
InChIKeySIANVAWUIUUPEK-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.28
Rot. Bonds4

About 5-(4-ethenylphenyl)-N-ethyl-1,3,4-thiadiazol-2-amine

5-(4-ethenylphenyl)-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 67236305) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 5-(4-ethenylphenyl)-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-ethenylphenyl)-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID67236305
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name5-(4-ethenylphenyl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESC=Cc1ccc(-c2nnc(NCC)s2)cc1
InChIInChI=1S/C12H13N3S/c1-3-9-5-7-10(8-6-9)11-14-15-12(16-11)13-4-2/h3,5-8H,1,4H2,2H3,(H,13,15)
InChIKeySIANVAWUIUUPEK-UHFFFAOYSA-N
XLogP3.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethenylphenyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-ethenylphenyl)-N-ethyl-1,3,4-thiadiazol-2-amine (CID 67236305) is 5-(4-ethenylphenyl)-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-ethenylphenyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-ethenylphenyl)-N-ethyl-1,3,4-thiadiazol-2-amine is C=Cc1ccc(-c2nnc(NCC)s2)cc1.
What is the InChIKey of 5-(4-ethenylphenyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SIANVAWUIUUPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-3-9-5-7-10(8-6-9)11-14-15-12(16-11)13-4-2/h3,5-8H,1,4H2,2H3,(H,13,15).
What are the key properties of 5-(4-ethenylphenyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
5-(4-ethenylphenyl)-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 231.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenylphenyl)-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 67236305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).