5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine

C16H15N3S — CID 31535225

IUPAC5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
SMILESc1ccc(CCNc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C16H15N3S/c1-3-7-13(8-4-1)11-12-17-16-19-18-15(20-16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)
InChIKeyUAKBTADAHSCCJR-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.86
Rot. Bonds5

About 5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine

5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 31535225) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
PubChem CID31535225
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
SMILESc1ccc(CCNc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C16H15N3S/c1-3-7-13(8-4-1)11-12-17-16-19-18-15(20-16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)
InChIKeyUAKBTADAHSCCJR-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine (CID 31535225) is 5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine is c1ccc(CCNc2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of 5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is UAKBTADAHSCCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-3-7-13(8-4-1)11-12-17-16-19-18-15(20-16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19).
What are the key properties of 5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine?
5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 281.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 31535225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).