2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazole

C23H27N3S — CID 22762529

IUPAC2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazole
SMILESCc1ccc(N2CCN(C(C)Cc3nc(-c4ccccc4)cs3)CC2)cc1
InChIInChI=1S/C23H27N3S/c1-18-8-10-21(11-9-18)26-14-12-25(13-15-26)19(2)16-23-24-22(17-27-23)20-6-4-3-5-7-20/h3-11,17,19H,12-16H2,1-2H3
InChIKeyMJELUHMJJPAFHM-UHFFFAOYSA-N
MW377.56 g/mol
LogP4.87
Rot. Bonds5

About 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazole

2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazole (PubChem CID 22762529) has the molecular formula C23H27N3S and a molecular weight of 377.56 g/mol. Its IUPAC name is 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazole
PubChem CID22762529
Molecular FormulaC23H27N3S
Molecular Weight377.56 g/mol
Exact Mass377.19
IUPAC Name2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazole
SMILESCc1ccc(N2CCN(C(C)Cc3nc(-c4ccccc4)cs3)CC2)cc1
InChIInChI=1S/C23H27N3S/c1-18-8-10-21(11-9-18)26-14-12-25(13-15-26)19(2)16-23-24-22(17-27-23)20-6-4-3-5-7-20/h3-11,17,19H,12-16H2,1-2H3
InChIKeyMJELUHMJJPAFHM-UHFFFAOYSA-N
XLogP4.87
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazole 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-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazole (CID 22762529) is 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazole is Cc1ccc(N2CCN(C(C)Cc3nc(-c4ccccc4)cs3)CC2)cc1.
What is the InChIKey of 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazole?
The InChIKey is MJELUHMJJPAFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3S/c1-18-8-10-21(11-9-18)26-14-12-25(13-15-26)19(2)16-23-24-22(17-27-23)20-6-4-3-5-7-20/h3-11,17,19H,12-16H2,1-2H3.
What are the key properties of 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazole?
2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazole has a molecular weight of 377.56 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 22762529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).