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

C19H22ClF3N4OS — CID 155540421

IUPACN-[2-chloro-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)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H22ClF3N4OS/c1-11(2)16-15(25-18(29-16)27-8-6-26(3)7-9-27)17(28)24-14-5-4-12(10-13(14)20)19(21,22)23/h4-5,10-11H,6-9H2,1-3H3,(H,24,28)
InChIKeyCJCFDINOXGPVMR-UHFFFAOYSA-N
MW446.93 g/mol
LogP4.94
Rot. Bonds4

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

N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 155540421) has the molecular formula C19H22ClF3N4OS and a molecular weight of 446.93 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID155540421
Molecular FormulaC19H22ClF3N4OS
Molecular Weight446.93 g/mol
Exact Mass446.12
IUPAC NameN-[2-chloro-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)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H22ClF3N4OS/c1-11(2)16-15(25-18(29-16)27-8-6-26(3)7-9-27)17(28)24-14-5-4-12(10-13(14)20)19(21,22)23/h4-5,10-11H,6-9H2,1-3H3,(H,24,28)
InChIKeyCJCFDINOXGPVMR-UHFFFAOYSA-N
XLogP4.94
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.93
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-chloro-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-[(2,6-Dichlorophenyl)amino](1,3-thiazol-4-yl)}-n-[4-(trifluoromethyl)phenyl]-carboxamide
CID 11661966
[2-(4-Chloro-2-fluoroanilino)-5-methyl-1,3-thiazol-4-yl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 71818574
5-ethyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 44527030
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 44527032
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 44527034
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 44527035
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 44527645
[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-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 155534821
N-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 155537431

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 155540421) is N-[2-chloro-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-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-chloro-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)Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is CJCFDINOXGPVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF3N4OS/c1-11(2)16-15(25-18(29-16)27-8-6-26(3)7-9-27)17(28)24-14-5-4-12(10-13(14)20)19(21,22)23/h4-5,10-11H,6-9H2,1-3H3,(H,24,28).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 446.93 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155540421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).