1-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-2-phenyl-1,3-thiazol-5-yl]propan-1-imine

C29H29FN4S — CID 154811193

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-2-phenyl-1,3-thiazol-5-yl]propan-1-imine
SMILESCCC(=Nc1sc(-c2ccccc2)nc1-c1ccc(C)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C29H29FN4S/c1-3-26(34-19-17-33(18-20-34)25-15-13-24(30)14-16-25)31-29-27(22-11-9-21(2)10-12-22)32-28(35-29)23-7-5-4-6-8-23/h4-16H,3,17-20H2,1-2H3
InChIKeyUZRZUXDYQUBUPU-UHFFFAOYSA-N
MW484.64 g/mol
LogP7.19
Rot. Bonds5

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-2-phenyl-1,3-thiazol-5-yl]propan-1-imine

1-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-2-phenyl-1,3-thiazol-5-yl]propan-1-imine (PubChem CID 154811193) has the molecular formula C29H29FN4S and a molecular weight of 484.64 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-2-phenyl-1,3-thiazol-5-yl]propan-1-imine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-2-phenyl-1,3-thiazol-5-yl]propan-1-imine
PubChem CID154811193
Molecular FormulaC29H29FN4S
Molecular Weight484.64 g/mol
Exact Mass484.21
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-2-phenyl-1,3-thiazol-5-yl]propan-1-imine
SMILESCCC(=Nc1sc(-c2ccccc2)nc1-c1ccc(C)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C29H29FN4S/c1-3-26(34-19-17-33(18-20-34)25-15-13-24(30)14-16-25)31-29-27(22-11-9-21(2)10-12-22)32-28(35-29)23-7-5-4-6-8-23/h4-16H,3,17-20H2,1-2H3
InChIKeyUZRZUXDYQUBUPU-UHFFFAOYSA-N
XLogP7.19
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-2-phenyl-1,3-thiazol-5-yl]propan-1-imine?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-2-phenyl-1,3-thiazol-5-yl]propan-1-imine (CID 154811193) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-2-phenyl-1,3-thiazol-5-yl]propan-1-imine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-2-phenyl-1,3-thiazol-5-yl]propan-1-imine?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-2-phenyl-1,3-thiazol-5-yl]propan-1-imine is CCC(=Nc1sc(-c2ccccc2)nc1-c1ccc(C)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-2-phenyl-1,3-thiazol-5-yl]propan-1-imine?
The InChIKey is UZRZUXDYQUBUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4S/c1-3-26(34-19-17-33(18-20-34)25-15-13-24(30)14-16-25)31-29-27(22-11-9-21(2)10-12-22)32-28(35-29)23-7-5-4-6-8-23/h4-16H,3,17-20H2,1-2H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-2-phenyl-1,3-thiazol-5-yl]propan-1-imine?
1-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-2-phenyl-1,3-thiazol-5-yl]propan-1-imine has a molecular weight of 484.64 g/mol, XLogP of 7.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-2-phenyl-1,3-thiazol-5-yl]propan-1-imine is sourced from PubChem (CID 154811193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).