4-(4-imidazol-1-ylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C24H23F3N6S — CID 58911143

About 4-(4-imidazol-1-ylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

4-(4-imidazol-1-ylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 58911143) has the molecular formula C24H23F3N6S and a molecular weight of 484.55 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-(4-imidazol-1-ylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
• PubChem CID: 58911143
• Molecular Formula: C24H23F3N6S
• Molecular Weight: 484.55 g/mol
• Exact Mass: 484.17
• IUPAC Name: 4-(4-imidazol-1-ylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
• SMILES: CN1CCN(c2ccc(Nc3nc(-c4ccc(-n5ccnc5)cc4)cs3)c(C(F)(F)F)c2)CC1
• InChI: InChI=1S/C24H23F3N6S/c1-31-10-12-32(13-11-31)19-6-7-21(20(14-19)24(25,26)27)29-23-30-22(15-34-23)17-2-4-18(5-3-17)33-9-8-28-16-33/h2-9,14-16H,10-13H2,1H3,(H,29,30)
• InChIKey: LAKJSZKMBVQOIG-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 49.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.55
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?

The IUPAC name of 4-(4-imidazol-1-ylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 58911143) is 4-(4-imidazol-1-ylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

What is the SMILES notation for 4-(4-imidazol-1-ylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?

The canonical SMILES for 4-(4-imidazol-1-ylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is CN1CCN(c2ccc(Nc3nc(-c4ccc(-n5ccnc5)cc4)cs3)c(C(F)(F)F)c2)CC1.

What is the InChIKey of 4-(4-imidazol-1-ylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?

The InChIKey is LAKJSZKMBVQOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6S/c1-31-10-12-32(13-11-31)19-6-7-21(20(14-19)24(25,26)27)29-23-30-22(15-34-23)17-2-4-18(5-3-17)33-9-8-28-16-33/h2-9,14-16H,10-13H2,1H3,(H,29,30).

What are the key properties of 4-(4-imidazol-1-ylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?

4-(4-imidazol-1-ylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 484.55 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-imidazol-1-ylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58911143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).