2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide

C26H21Cl3N4O2S — CID 59712036

IUPAC2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCCN(CCc1ccccn1)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1
InChIInChI=1S/C26H21Cl3N4O2S/c1-2-32(14-12-19-5-3-4-13-30-19)25(35)23-16-36-26(31-23)33(20-9-6-17(27)7-10-20)24(34)21-11-8-18(28)15-22(21)29/h3-11,13,15-16H,2,12,14H2,1H3
InChIKeyQVCVFQZKDRHPDE-UHFFFAOYSA-N
MW559.91 g/mol
LogP7.18
Rot. Bonds8

About 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide

2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 59712036) has the molecular formula C26H21Cl3N4O2S and a molecular weight of 559.91 g/mol. Its IUPAC name is 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID59712036
Molecular FormulaC26H21Cl3N4O2S
Molecular Weight559.91 g/mol
Exact Mass558.05
IUPAC Name2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCCN(CCc1ccccn1)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1
InChIInChI=1S/C26H21Cl3N4O2S/c1-2-32(14-12-19-5-3-4-13-30-19)25(35)23-16-36-26(31-23)33(20-9-6-17(27)7-10-20)24(34)21-11-8-18(28)15-22(21)29/h3-11,13,15-16H,2,12,14H2,1H3
InChIKeyQVCVFQZKDRHPDE-UHFFFAOYSA-N
XLogP7.18
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.91
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-(2-pyridin-2-ylethyl)-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-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 11443975
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-diethyl-1,3-thiazole-4-carboxamide
CID 11363687
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-[2-(dimethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 11307023
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 11410120
2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-[2-(diethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 11203992
2-(4-chloro-N-(2,4-dichlorobenzoyl)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 59712077
N-(2-amino-2-oxoethyl)-2-(4-chloro-N-(2-chlorobenzoyl)anilino)-1,3-thiazole-4-carboxamide
CID 59712054
2,4-dichloro-N-(4-chlorophenyl)-N-[4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 59712047
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide
CID 59712055
2,4-dichloro-N-(4-chloro-3-methoxyphenyl)-N-[4-[(Z)-2-ethylbut-2-enoyl]-1,3-thiazol-2-yl]benzamide
CID 143062271
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,5-dimethyl-N-propyl-1,3-thiazole-4-carboxamide
CID 59712041
2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 56825636

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide (CID 59712036) is 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide is CCN(CCc1ccccn1)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QVCVFQZKDRHPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl3N4O2S/c1-2-32(14-12-19-5-3-4-13-30-19)25(35)23-16-36-26(31-23)33(20-9-6-17(27)7-10-20)24(34)21-11-8-18(28)15-22(21)29/h3-11,13,15-16H,2,12,14H2,1H3.
What are the key properties of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 559.91 g/mol, XLogP of 7.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59712036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).