2-(4-chloro-N-(2,4-dichlorobenzoyl)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide

C21H18Cl3N3O3S — CID 59712077

IUPAC2-(4-chloro-N-(2,4-dichlorobenzoyl)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(C)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)c(OC)c2)n1
InChIInChI=1S/C21H18Cl3N3O3S/c1-4-26(2)20(29)17-11-31-21(25-17)27(13-6-8-15(23)18(10-13)30-3)19(28)14-7-5-12(22)9-16(14)24/h5-11H,4H2,1-3H3
InChIKeyVHHWLKLNDYTTGR-UHFFFAOYSA-N
MW498.82 g/mol
LogP6.18
Rot. Bonds6

About 2-(4-chloro-N-(2,4-dichlorobenzoyl)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide

2-(4-chloro-N-(2,4-dichlorobenzoyl)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 59712077) has the molecular formula C21H18Cl3N3O3S and a molecular weight of 498.82 g/mol. Its IUPAC name is 2-(4-chloro-N-(2,4-dichlorobenzoyl)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-N-(2,4-dichlorobenzoyl)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID59712077
Molecular FormulaC21H18Cl3N3O3S
Molecular Weight498.82 g/mol
Exact Mass497.01
IUPAC Name2-(4-chloro-N-(2,4-dichlorobenzoyl)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(C)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)c(OC)c2)n1
InChIInChI=1S/C21H18Cl3N3O3S/c1-4-26(2)20(29)17-11-31-21(25-17)27(13-6-8-15(23)18(10-13)30-3)19(28)14-7-5-12(22)9-16(14)24/h5-11H,4H2,1-3H3
InChIKeyVHHWLKLNDYTTGR-UHFFFAOYSA-N
XLogP6.18
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.82
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-(4-chloro-3-methoxyphenyl)-N-[4-[(Z)-2-ethylbut-2-enoyl]-1,3-thiazol-2-yl]benzamide
CID 143062271
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)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-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide
CID 59712065
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 11410120
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-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 59712036
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide
CID 59712055
2-(N-(2-chlorobenzoyl)-3,4-dimethoxyanilino)-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 11214655
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,5-dimethyl-N-propyl-1,3-thiazole-4-carboxamide
CID 59712041

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(2,4-dichlorobenzoyl)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chloro-N-(2,4-dichlorobenzoyl)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide (CID 59712077) is 2-(4-chloro-N-(2,4-dichlorobenzoyl)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chloro-N-(2,4-dichlorobenzoyl)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chloro-N-(2,4-dichlorobenzoyl)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide is CCN(C)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)c(OC)c2)n1.
What is the InChIKey of 2-(4-chloro-N-(2,4-dichlorobenzoyl)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is VHHWLKLNDYTTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl3N3O3S/c1-4-26(2)20(29)17-11-31-21(25-17)27(13-6-8-15(23)18(10-13)30-3)19(28)14-7-5-12(22)9-16(14)24/h5-11H,4H2,1-3H3.
What are the key properties of 2-(4-chloro-N-(2,4-dichlorobenzoyl)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide?
2-(4-chloro-N-(2,4-dichlorobenzoyl)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 498.82 g/mol, XLogP of 6.18, 6 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)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59712077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).