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'}

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Related Compounds

2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
2-(bromomethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole
CID 175660209
2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol
CID 59343369
4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103456577
4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]benzoic acid
CID 58256826
1-(4-benzhydrylpiperazin-1-yl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 59178294
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole
CID 1477904
3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 105006711
[3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-yl]hydrazine
CID 105320685
1,1-difluoro-N-methyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 103516844
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one
CID 110412266

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).