2-phenyl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole

C23H20F3N5S — CID 24606712

IUPAC2-phenyl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1nc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c2ccccc2n1
InChIInChI=1S/C23H20F3N5S/c24-23(25,26)22-28-19-9-5-4-8-18(19)20(29-22)31-12-10-30(11-13-31)14-17-15-32-21(27-17)16-6-2-1-3-7-16/h1-9,15H,10-14H2
InChIKeyOOYCLDMYWWEFJC-UHFFFAOYSA-N
MW455.51 g/mol
LogP5.09
Rot. Bonds4

About 2-phenyl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole

2-phenyl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 24606712) has the molecular formula C23H20F3N5S and a molecular weight of 455.51 g/mol. Its IUPAC name is 2-phenyl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID24606712
Molecular FormulaC23H20F3N5S
Molecular Weight455.51 g/mol
Exact Mass455.14
IUPAC Name2-phenyl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1nc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c2ccccc2n1
InChIInChI=1S/C23H20F3N5S/c24-23(25,26)22-28-19-9-5-4-8-18(19)20(29-22)31-12-10-30(11-13-31)14-17-15-32-21(27-17)16-6-2-1-3-7-16/h1-9,15H,10-14H2
InChIKeyOOYCLDMYWWEFJC-UHFFFAOYSA-N
XLogP5.09
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-phenyl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-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

Related Compounds

2-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 17448522
4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-(trifluoromethyl)quinazoline
CID 71689078
4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 24628231
4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline
CID 1191881
2-phenyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 27122809
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 4826311
2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 60501855
4-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 22195641
2,2-dimethyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 37274617
4-[[4-(2-ethylphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809613
4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 6456473
4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 22195276

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-phenyl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole (CID 24606712) is 2-phenyl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-phenyl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-phenyl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole is FC(F)(F)c1nc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c2ccccc2n1.
What is the InChIKey of 2-phenyl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is OOYCLDMYWWEFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5S/c24-23(25,26)22-28-19-9-5-4-8-18(19)20(29-22)31-12-10-30(11-13-31)14-17-15-32-21(27-17)16-6-2-1-3-7-16/h1-9,15H,10-14H2.
What are the key properties of 2-phenyl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole?
2-phenyl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 455.51 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 24606712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).