2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide

C24H25Cl3N4O2S — CID 11410120

IUPAC2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide
SMILESCCN(C)CCN(CC)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1
InChIInChI=1S/C24H25Cl3N4O2S/c1-4-29(3)12-13-30(5-2)23(33)21-15-34-24(28-21)31(18-9-6-16(25)7-10-18)22(32)19-11-8-17(26)14-20(19)27/h6-11,14-15H,4-5,12-13H2,1-3H3
InChIKeyBLAVNGLZNUZGSP-UHFFFAOYSA-N
MW539.92 g/mol
LogP6.50
Rot. Bonds9

About 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide

2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 11410120) has the molecular formula C24H25Cl3N4O2S and a molecular weight of 539.92 g/mol. Its IUPAC name is 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID11410120
Molecular FormulaC24H25Cl3N4O2S
Molecular Weight539.92 g/mol
Exact Mass538.08
IUPAC Name2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide
SMILESCCN(C)CCN(CC)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1
InChIInChI=1S/C24H25Cl3N4O2S/c1-4-29(3)12-13-30(5-2)23(33)21-15-34-24(28-21)31(18-9-6-16(25)7-10-18)22(32)19-11-8-17(26)14-20(19)27/h6-11,14-15H,4-5,12-13H2,1-3H3
InChIKeyBLAVNGLZNUZGSP-UHFFFAOYSA-N
XLogP6.50
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.92
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide (CID 11410120) is 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide is CCN(C)CCN(CC)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-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BLAVNGLZNUZGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl3N4O2S/c1-4-29(3)12-13-30(5-2)23(33)21-15-34-24(28-21)31(18-9-6-16(25)7-10-18)22(32)19-11-8-17(26)14-20(19)27/h6-11,14-15H,4-5,12-13H2,1-3H3.
What are the key properties of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide?
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 539.92 g/mol, XLogP of 6.50, 9 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-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11410120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).