N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide

C19H21Cl2F3N4OS — CID 155561143

IUPACN-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H21Cl2F3N4OS/c1-10(2)16-15(26-18(30-16)28-6-4-27(3)5-7-28)17(29)25-14-12(20)8-11(9-13(14)21)19(22,23)24/h8-10H,4-7H2,1-3H3,(H,25,29)
InChIKeyZUKNJYUYNUDSIA-UHFFFAOYSA-N
MW481.37 g/mol
LogP5.60
Rot. Bonds4

About N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide

N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 155561143) has the molecular formula C19H21Cl2F3N4OS and a molecular weight of 481.37 g/mol. Its IUPAC name is N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID155561143
Molecular FormulaC19H21Cl2F3N4OS
Molecular Weight481.37 g/mol
Exact Mass480.08
IUPAC NameN-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H21Cl2F3N4OS/c1-10(2)16-15(26-18(30-16)28-6-4-27(3)5-7-28)17(29)25-14-12(20)8-11(9-13(14)21)19(22,23)24/h8-10H,4-7H2,1-3H3,(H,25,29)
InChIKeyZUKNJYUYNUDSIA-UHFFFAOYSA-N
XLogP5.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.37
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide 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

Trpc3/6-IN-3
CID 71818575
[2-(4-Chloro-2-fluoroanilino)-5-methyl-1,3-thiazol-4-yl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 71818574
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 44527035
[2-(4-chloro-2-fluoroanilino)-5-methyl-1,3-thiazol-4-yl]-[(2R,3R)-2,3-dimethylpiperidin-1-yl]methanone
CID 71818576
2-(4-methylpiperazin-1-yl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 155513503
N-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 155537431
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 155543855
N-(2-chloro-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 155548380
N-[2-(3,4-dichlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 44527024
N-[2-(3,4-dichlorophenyl)ethyl]-5-ethyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 44527026
N-[2-(3-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 44527028
5-ethyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 44527649

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 155561143) is N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ZUKNJYUYNUDSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2F3N4OS/c1-10(2)16-15(26-18(30-16)28-6-4-27(3)5-7-28)17(29)25-14-12(20)8-11(9-13(14)21)19(22,23)24/h8-10H,4-7H2,1-3H3,(H,25,29).
What are the key properties of N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 481.37 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155561143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).