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

C23H23Cl3N4O2S — CID 11307023

IUPAC2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-[2-(dimethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H23Cl3N4O2S/c1-4-29(12-11-28(2)3)22(32)20-14-33-23(27-20)30(17-8-5-15(24)6-9-17)21(31)18-10-7-16(25)13-19(18)26/h5-10,13-14H,4,11-12H2,1-3H3
InChIKeyCAJALTGOOAEYNN-UHFFFAOYSA-N
MW525.89 g/mol
LogP6.11
Rot. Bonds8

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

2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-[2-(dimethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 11307023) has the molecular formula C23H23Cl3N4O2S and a molecular weight of 525.89 g/mol. Its IUPAC name is 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-[2-(dimethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-[2-(dimethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide
PubChem CID11307023
Molecular FormulaC23H23Cl3N4O2S
Molecular Weight525.89 g/mol
Exact Mass524.06
IUPAC Name2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-[2-(dimethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H23Cl3N4O2S/c1-4-29(12-11-28(2)3)22(32)20-14-33-23(27-20)30(17-8-5-15(24)6-9-17)21(31)18-10-7-16(25)13-19(18)26/h5-10,13-14H,4,11-12H2,1-3H3
InChIKeyCAJALTGOOAEYNN-UHFFFAOYSA-N
XLogP6.11
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.89
LogP ≤ 56.11
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-[2-(dimethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-[2-(dimethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide (CID 11307023) is 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-[2-(dimethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-[2-(dimethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-[2-(dimethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide is CCN(CCN(C)C)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-[2-(dimethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is CAJALTGOOAEYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl3N4O2S/c1-4-29(12-11-28(2)3)22(32)20-14-33-23(27-20)30(17-8-5-15(24)6-9-17)21(31)18-10-7-16(25)13-19(18)26/h5-10,13-14H,4,11-12H2,1-3H3.
What are the key properties of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-[2-(dimethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide?
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-[2-(dimethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 525.89 g/mol, XLogP of 6.11, 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-[2-(dimethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11307023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).