2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-bis(2-methoxyethyl)-1,3-thiazole-5-carboxamide

C23H22Cl3N3O4S — CID 59712035

IUPAC2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-bis(2-methoxyethyl)-1,3-thiazole-5-carboxamide
SMILESCOCCN(CCOC)C(=O)c1cnc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)s1
InChIInChI=1S/C23H22Cl3N3O4S/c1-32-11-9-28(10-12-33-2)22(31)20-14-27-23(34-20)29(17-6-3-15(24)4-7-17)21(30)18-8-5-16(25)13-19(18)26/h3-8,13-14H,9-12H2,1-2H3
InChIKeyVIAZDZIGTNBUHX-UHFFFAOYSA-N
MW542.87 g/mol
LogP5.82
Rot. Bonds10

About 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-bis(2-methoxyethyl)-1,3-thiazole-5-carboxamide

2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-bis(2-methoxyethyl)-1,3-thiazole-5-carboxamide (PubChem CID 59712035) has the molecular formula C23H22Cl3N3O4S and a molecular weight of 542.87 g/mol. Its IUPAC name is 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-bis(2-methoxyethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-bis(2-methoxyethyl)-1,3-thiazole-5-carboxamide
PubChem CID59712035
Molecular FormulaC23H22Cl3N3O4S
Molecular Weight542.87 g/mol
Exact Mass541.04
IUPAC Name2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-bis(2-methoxyethyl)-1,3-thiazole-5-carboxamide
SMILESCOCCN(CCOC)C(=O)c1cnc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)s1
InChIInChI=1S/C23H22Cl3N3O4S/c1-32-11-9-28(10-12-33-2)22(31)20-14-27-23(34-20)29(17-6-3-15(24)4-7-17)21(30)18-8-5-16(25)13-19(18)26/h3-8,13-14H,9-12H2,1-2H3
InChIKeyVIAZDZIGTNBUHX-UHFFFAOYSA-N
XLogP5.82
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.87
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide
CID 59712055
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)-1,3-thiazole-5-carboxylic acid;piperidine-1-carboxamide
CID 69288105
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-diethyl-1,3-thiazole-4-carboxamide
CID 11363687
2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[5-(3-ethoxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 69287696
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,5-dimethyl-N-propyl-1,3-thiazole-4-carboxamide
CID 59712041
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
2,4-dichloro-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 90582704
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 11443975
N-[4-(aminomethoxy)phenyl]-N-(1,3-benzothiazol-2-yl)-2,4-dichlorobenzamide
CID 142980039
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 59712036

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-bis(2-methoxyethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-bis(2-methoxyethyl)-1,3-thiazole-5-carboxamide (CID 59712035) is 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-bis(2-methoxyethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-bis(2-methoxyethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-bis(2-methoxyethyl)-1,3-thiazole-5-carboxamide is COCCN(CCOC)C(=O)c1cnc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-bis(2-methoxyethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VIAZDZIGTNBUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl3N3O4S/c1-32-11-9-28(10-12-33-2)22(31)20-14-27-23(34-20)29(17-6-3-15(24)4-7-17)21(30)18-8-5-16(25)13-19(18)26/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-bis(2-methoxyethyl)-1,3-thiazole-5-carboxamide?
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-bis(2-methoxyethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 542.87 g/mol, XLogP of 5.82, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-bis(2-methoxyethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59712035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).