5-(2,2-diphenylethyl)-1,3,4-thiadiazol-2-amine

C16H15N3S — CID 937067

IUPAC5-(2,2-diphenylethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CC(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C16H15N3S/c17-16-19-18-15(20-16)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,17,19)
InChIKeyMBAWYSQPIPBCDW-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.49
Rot. Bonds4

About 5-(2,2-diphenylethyl)-1,3,4-thiadiazol-2-amine

5-(2,2-diphenylethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 937067) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-(2,2-diphenylethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-diphenylethyl)-1,3,4-thiadiazol-2-amine
PubChem CID937067
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name5-(2,2-diphenylethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CC(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C16H15N3S/c17-16-19-18-15(20-16)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,17,19)
InChIKeyMBAWYSQPIPBCDW-UHFFFAOYSA-N
XLogP3.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-diphenylethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,2-diphenylethyl)-1,3,4-thiadiazol-2-amine (CID 937067) is 5-(2,2-diphenylethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,2-diphenylethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,2-diphenylethyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(CC(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of 5-(2,2-diphenylethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MBAWYSQPIPBCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c17-16-19-18-15(20-16)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,17,19).
What are the key properties of 5-(2,2-diphenylethyl)-1,3,4-thiadiazol-2-amine?
5-(2,2-diphenylethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 281.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-diphenylethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 937067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).