5-phenyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole

C17H18N2S — CID 2860522

IUPAC5-phenyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole
SMILESCC(C)c1ccc(C2NN=C(c3ccccc3)S2)cc1
InChIInChI=1S/C17H18N2S/c1-12(2)13-8-10-15(11-9-13)17-19-18-16(20-17)14-6-4-3-5-7-14/h3-12,17,19H,1-2H3
InChIKeySMSSUOGAYGGUJG-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.51
Rot. Bonds3

About 5-phenyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole

5-phenyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 2860522) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 5-phenyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-phenyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole
PubChem CID2860522
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name5-phenyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole
SMILESCC(C)c1ccc(C2NN=C(c3ccccc3)S2)cc1
InChIInChI=1S/C17H18N2S/c1-12(2)13-8-10-15(11-9-13)17-19-18-16(20-17)14-6-4-3-5-7-14/h3-12,17,19H,1-2H3
InChIKeySMSSUOGAYGGUJG-UHFFFAOYSA-N
XLogP4.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-phenyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 5-phenyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole (CID 2860522) is 5-phenyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 5-phenyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 5-phenyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole is CC(C)c1ccc(C2NN=C(c3ccccc3)S2)cc1.
What is the InChIKey of 5-phenyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is SMSSUOGAYGGUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12(2)13-8-10-15(11-9-13)17-19-18-16(20-17)14-6-4-3-5-7-14/h3-12,17,19H,1-2H3.
What are the key properties of 5-phenyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
5-phenyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 282.41 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 2860522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).