2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-[2-(diethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide

C27H32Cl2N4O4S — CID 11203992

IUPAC2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-[2-(diethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCN(CC)CCN(CC)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C27H32Cl2N4O4S/c1-6-31(7-2)13-14-32(8-3)26(35)22-17-38-27(30-22)33(19-10-12-23(36-4)24(16-19)37-5)25(34)20-11-9-18(28)15-21(20)29/h9-12,15-17H,6-8,13-14H2,1-5H3
InChIKeyWLDMLGICWZVYTL-UHFFFAOYSA-N
MW579.55 g/mol
LogP6.25
Rot. Bonds12

About 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-[2-(diethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide

2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-[2-(diethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 11203992) has the molecular formula C27H32Cl2N4O4S and a molecular weight of 579.55 g/mol. Its IUPAC name is 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-[2-(diethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-[2-(diethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide
PubChem CID11203992
Molecular FormulaC27H32Cl2N4O4S
Molecular Weight579.55 g/mol
Exact Mass578.15
IUPAC Name2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-[2-(diethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCN(CC)CCN(CC)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C27H32Cl2N4O4S/c1-6-31(7-2)13-14-32(8-3)26(35)22-17-38-27(30-22)33(19-10-12-23(36-4)24(16-19)37-5)25(34)20-11-9-18(28)15-21(20)29/h9-12,15-17H,6-8,13-14H2,1-5H3
InChIKeyWLDMLGICWZVYTL-UHFFFAOYSA-N
XLogP6.25
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.55
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 59712077
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-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 11410120
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-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 59712036
2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide
CID 59712065
2-(N-(2-chlorobenzoyl)-3,4-dimethoxyanilino)-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 11214655
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 11443975
2,4-dichloro-N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 43960283
[2-(N-(2-chlorobenzoyl)-3,4-dimethoxyanilino)-1,3-thiazol-4-yl] N-benzylcarbamate
CID 69287922
N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide
CID 80661232

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-[2-(diethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-[2-(diethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide (CID 11203992) is 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-[2-(diethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-[2-(diethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-[2-(diethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide is CCN(CC)CCN(CC)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-[2-(diethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is WLDMLGICWZVYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Cl2N4O4S/c1-6-31(7-2)13-14-32(8-3)26(35)22-17-38-27(30-22)33(19-10-12-23(36-4)24(16-19)37-5)25(34)20-11-9-18(28)15-21(20)29/h9-12,15-17H,6-8,13-14H2,1-5H3.
What are the key properties of 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-[2-(diethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide?
2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-[2-(diethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 579.55 g/mol, XLogP of 6.25, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-[2-(diethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11203992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).