N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide

C29H27F3N4O2S — CID 44532764

IUPACN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)cs3)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C29H27F3N4O2S/c1-35-12-14-36(15-13-35)25-17-23(10-11-26(25)38-2)33-27(37)19-6-8-20(9-7-19)28-34-24(18-39-28)21-4-3-5-22(16-21)29(30,31)32/h3-11,16-18H,12-15H2,1-2H3,(H,33,37)
InChIKeyBOSPYOKOZDHVKW-UHFFFAOYSA-N
MW552.62 g/mol
LogP6.51
Rot. Bonds6

About N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 44532764) has the molecular formula C29H27F3N4O2S and a molecular weight of 552.62 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
PubChem CID44532764
Molecular FormulaC29H27F3N4O2S
Molecular Weight552.62 g/mol
Exact Mass552.18
IUPAC NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)cs3)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C29H27F3N4O2S/c1-35-12-14-36(15-13-35)25-17-23(10-11-26(25)38-2)33-27(37)19-6-8-20(9-7-19)28-34-24(18-39-28)21-4-3-5-22(16-21)29(30,31)32/h3-11,16-18H,12-15H2,1-2H3,(H,33,37)
InChIKeyBOSPYOKOZDHVKW-UHFFFAOYSA-N
XLogP6.51
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.62
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide 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

N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 891670
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 44532763
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide;oxalic acid
CID 44533077
N-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-4-(thiazol-4-yl)benzamide
CID 91885413
4-(3-carbamoylphenyl)-N-[4-(difluoromethoxy)phenyl]-1,3-thiazole-2-carboxamide
CID 178319876
4-(4-carbamoylphenyl)-N-[4-(difluoromethoxy)phenyl]-1,3-thiazole-2-carboxamide
CID 178321926
N-(2-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 892622
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 44211993
N-(2-Isopropoxy-4-(4-Methylpiperazine-1-Carbonyl)phenyl)-2-(3-(Phenylcarbamoyl)phenyl)thiazole-4-Carboxamide
CID 122235220
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-4-fluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 10118692
N-[(2S)-3-cyclohexyl-1-oxo-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 11478528
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 22459288

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide (CID 44532764) is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide is COc1ccc(NC(=O)c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)cs3)cc2)cc1N1CCN(C)CC1.
What is the InChIKey of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is BOSPYOKOZDHVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N4O2S/c1-35-12-14-36(15-13-35)25-17-23(10-11-26(25)38-2)33-27(37)19-6-8-20(9-7-19)28-34-24(18-39-28)21-4-3-5-22(16-21)29(30,31)32/h3-11,16-18H,12-15H2,1-2H3,(H,33,37).
What are the key properties of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 552.62 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 44532764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).