1-(3-methylphenyl)-2-[4-(4-phenylphenyl)thiadiazol-5-yl]propan-1-one

C24H20N2OS — CID 5106770

IUPAC1-(3-methylphenyl)-2-[4-(4-phenylphenyl)thiadiazol-5-yl]propan-1-one
SMILESCc1cccc(C(=O)C(C)c2snnc2-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H20N2OS/c1-16-7-6-10-21(15-16)23(27)17(2)24-22(25-26-28-24)20-13-11-19(12-14-20)18-8-4-3-5-9-18/h3-15,17H,1-2H3
InChIKeyOSGCFAVIROYOPM-UHFFFAOYSA-N
MW384.50 g/mol
LogP6.17
Rot. Bonds5

About 1-(3-methylphenyl)-2-[4-(4-phenylphenyl)thiadiazol-5-yl]propan-1-one

1-(3-methylphenyl)-2-[4-(4-phenylphenyl)thiadiazol-5-yl]propan-1-one (PubChem CID 5106770) has the molecular formula C24H20N2OS and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-[4-(4-phenylphenyl)thiadiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-[4-(4-phenylphenyl)thiadiazol-5-yl]propan-1-one
PubChem CID5106770
Molecular FormulaC24H20N2OS
Molecular Weight384.50 g/mol
Exact Mass384.13
IUPAC Name1-(3-methylphenyl)-2-[4-(4-phenylphenyl)thiadiazol-5-yl]propan-1-one
SMILESCc1cccc(C(=O)C(C)c2snnc2-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H20N2OS/c1-16-7-6-10-21(15-16)23(27)17(2)24-22(25-26-28-24)20-13-11-19(12-14-20)18-8-4-3-5-9-18/h3-15,17H,1-2H3
InChIKeyOSGCFAVIROYOPM-UHFFFAOYSA-N
XLogP6.17
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-methylphenyl)-2-[4-(4-phenylphenyl)thiadiazol-5-yl]propan-1-one 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 1-(3-methylphenyl)-2-[4-(4-phenylphenyl)thiadiazol-5-yl]propan-1-one?
The IUPAC name of 1-(3-methylphenyl)-2-[4-(4-phenylphenyl)thiadiazol-5-yl]propan-1-one (CID 5106770) is 1-(3-methylphenyl)-2-[4-(4-phenylphenyl)thiadiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-(3-methylphenyl)-2-[4-(4-phenylphenyl)thiadiazol-5-yl]propan-1-one?
The canonical SMILES for 1-(3-methylphenyl)-2-[4-(4-phenylphenyl)thiadiazol-5-yl]propan-1-one is Cc1cccc(C(=O)C(C)c2snnc2-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-[4-(4-phenylphenyl)thiadiazol-5-yl]propan-1-one?
The InChIKey is OSGCFAVIROYOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2OS/c1-16-7-6-10-21(15-16)23(27)17(2)24-22(25-26-28-24)20-13-11-19(12-14-20)18-8-4-3-5-9-18/h3-15,17H,1-2H3.
What are the key properties of 1-(3-methylphenyl)-2-[4-(4-phenylphenyl)thiadiazol-5-yl]propan-1-one?
1-(3-methylphenyl)-2-[4-(4-phenylphenyl)thiadiazol-5-yl]propan-1-one has a molecular weight of 384.50 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-[4-(4-phenylphenyl)thiadiazol-5-yl]propan-1-one is sourced from PubChem (CID 5106770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).