2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C20H18F3N3O4S — CID 16955157

IUPAC2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)Nc3cc(C(F)(F)F)ccc3OC)cs2)c(OC)c1
InChIInChI=1S/C20H18F3N3O4S/c1-28-12-5-6-13(17(9-12)30-3)25-19-26-15(10-31-19)18(27)24-14-8-11(20(21,22)23)4-7-16(14)29-2/h4-10H,1-3H3,(H,24,27)(H,25,26)
InChIKeyDUOBDISBBOAUOU-UHFFFAOYSA-N
MW453.44 g/mol
LogP5.18
Rot. Bonds7

About 2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 16955157) has the molecular formula C20H18F3N3O4S and a molecular weight of 453.44 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID16955157
Molecular FormulaC20H18F3N3O4S
Molecular Weight453.44 g/mol
Exact Mass453.10
IUPAC Name2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)Nc3cc(C(F)(F)F)ccc3OC)cs2)c(OC)c1
InChIInChI=1S/C20H18F3N3O4S/c1-28-12-5-6-13(17(9-12)30-3)25-19-26-15(10-31-19)18(27)24-14-8-11(20(21,22)23)4-7-16(14)29-2/h4-10H,1-3H3,(H,24,27)(H,25,26)
InChIKeyDUOBDISBBOAUOU-UHFFFAOYSA-N
XLogP5.18
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.44
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-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

2-(2,4-dimethoxyanilino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16955084
N-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955163
dimethyl 2-[[2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 16955122
N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506217
2-(2,4-dimethoxyanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16955025
N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955295
2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16915286
N-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16845047
N-cyclohexyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955034
2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16955129
2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 16955044
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 30245473

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 16955157) is 2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(=O)Nc3cc(C(F)(F)F)ccc3OC)cs2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DUOBDISBBOAUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4S/c1-28-12-5-6-13(17(9-12)30-3)25-19-26-15(10-31-19)18(27)24-14-8-11(20(21,22)23)4-7-16(14)29-2/h4-10H,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 453.44 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16955157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).