2-(4-cyclohexylphenyl)-2-methyl-5-phenyl-3H-1,3,4-thiadiazole

C21H24N2S — CID 2860978

IUPAC2-(4-cyclohexylphenyl)-2-methyl-5-phenyl-3H-1,3,4-thiadiazole
SMILESCC1(c2ccc(C3CCCCC3)cc2)NN=C(c2ccccc2)S1
InChIInChI=1S/C21H24N2S/c1-21(23-22-20(24-21)18-10-6-3-7-11-18)19-14-12-17(13-15-19)16-8-4-2-5-9-16/h3,6-7,10-16,23H,2,4-5,8-9H2,1H3
InChIKeyLSPJJEZRQDNFPM-UHFFFAOYSA-N
MW336.50 g/mol
LogP5.61
Rot. Bonds3

About 2-(4-cyclohexylphenyl)-2-methyl-5-phenyl-3H-1,3,4-thiadiazole

2-(4-cyclohexylphenyl)-2-methyl-5-phenyl-3H-1,3,4-thiadiazole (PubChem CID 2860978) has the molecular formula C21H24N2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-2-methyl-5-phenyl-3H-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-2-methyl-5-phenyl-3H-1,3,4-thiadiazole
PubChem CID2860978
Molecular FormulaC21H24N2S
Molecular Weight336.50 g/mol
Exact Mass336.17
IUPAC Name2-(4-cyclohexylphenyl)-2-methyl-5-phenyl-3H-1,3,4-thiadiazole
SMILESCC1(c2ccc(C3CCCCC3)cc2)NN=C(c2ccccc2)S1
InChIInChI=1S/C21H24N2S/c1-21(23-22-20(24-21)18-10-6-3-7-11-18)19-14-12-17(13-15-19)16-8-4-2-5-9-16/h3,6-7,10-16,23H,2,4-5,8-9H2,1H3
InChIKeyLSPJJEZRQDNFPM-UHFFFAOYSA-N
XLogP5.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.50
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-cyclohexylphenyl)-2-methyl-5-phenyl-3H-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 2-(4-cyclohexylphenyl)-2-methyl-5-phenyl-3H-1,3,4-thiadiazole?
The IUPAC name of 2-(4-cyclohexylphenyl)-2-methyl-5-phenyl-3H-1,3,4-thiadiazole (CID 2860978) is 2-(4-cyclohexylphenyl)-2-methyl-5-phenyl-3H-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-2-methyl-5-phenyl-3H-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-cyclohexylphenyl)-2-methyl-5-phenyl-3H-1,3,4-thiadiazole is CC1(c2ccc(C3CCCCC3)cc2)NN=C(c2ccccc2)S1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-2-methyl-5-phenyl-3H-1,3,4-thiadiazole?
The InChIKey is LSPJJEZRQDNFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2S/c1-21(23-22-20(24-21)18-10-6-3-7-11-18)19-14-12-17(13-15-19)16-8-4-2-5-9-16/h3,6-7,10-16,23H,2,4-5,8-9H2,1H3.
What are the key properties of 2-(4-cyclohexylphenyl)-2-methyl-5-phenyl-3H-1,3,4-thiadiazole?
2-(4-cyclohexylphenyl)-2-methyl-5-phenyl-3H-1,3,4-thiadiazole has a molecular weight of 336.50 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-2-methyl-5-phenyl-3H-1,3,4-thiadiazole is sourced from PubChem (CID 2860978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).