2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide

C20H16Cl3N3O2S — CID 59712055

IUPAC2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(C)C(=O)c1cnc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)s1
InChIInChI=1S/C20H16Cl3N3O2S/c1-3-25(2)19(28)17-11-24-20(29-17)26(14-7-4-12(21)5-8-14)18(27)15-9-6-13(22)10-16(15)23/h4-11H,3H2,1-2H3
InChIKeyPWZVPPSXKZAZLF-UHFFFAOYSA-N
MW468.79 g/mol
LogP6.17
Rot. Bonds5

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

2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 59712055) has the molecular formula C20H16Cl3N3O2S and a molecular weight of 468.79 g/mol. Its IUPAC name is 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID59712055
Molecular FormulaC20H16Cl3N3O2S
Molecular Weight468.79 g/mol
Exact Mass467.00
IUPAC Name2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(C)C(=O)c1cnc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)s1
InChIInChI=1S/C20H16Cl3N3O2S/c1-3-25(2)19(28)17-11-24-20(29-17)26(14-7-4-12(21)5-8-14)18(27)15-9-6-13(22)10-16(15)23/h4-11H,3H2,1-2H3
InChIKeyPWZVPPSXKZAZLF-UHFFFAOYSA-N
XLogP6.17
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.79
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide (CID 59712055) is 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide is CCN(C)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-ethyl-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PWZVPPSXKZAZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3N3O2S/c1-3-25(2)19(28)17-11-24-20(29-17)26(14-7-4-12(21)5-8-14)18(27)15-9-6-13(22)10-16(15)23/h4-11H,3H2,1-2H3.
What are the key properties of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide?
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 468.79 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59712055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).