2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C18H14Cl2N4O2S — CID 46114069

IUPAC2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H14Cl2N4O2S/c1-24(9-11-3-2-6-21-8-11)17(26)15-10-27-18(22-15)23-16(25)13-5-4-12(19)7-14(13)20/h2-8,10H,9H2,1H3,(H,22,23,25)
InChIKeyPAPLHRHSMCXTKR-UHFFFAOYSA-N
MW421.31 g/mol
LogP4.37
Rot. Bonds5

About 2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 46114069) has the molecular formula C18H14Cl2N4O2S and a molecular weight of 421.31 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID46114069
Molecular FormulaC18H14Cl2N4O2S
Molecular Weight421.31 g/mol
Exact Mass420.02
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H14Cl2N4O2S/c1-24(9-11-3-2-6-21-8-11)17(26)15-10-27-18(22-15)23-16(25)13-5-4-12(19)7-14(13)20/h2-8,10H,9H2,1H3,(H,22,23,25)
InChIKeyPAPLHRHSMCXTKR-UHFFFAOYSA-N
XLogP4.37
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.31
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 46114069) is 2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is CN(Cc1cccnc1)C(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PAPLHRHSMCXTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2S/c1-24(9-11-3-2-6-21-8-11)17(26)15-10-27-18(22-15)23-16(25)13-5-4-12(19)7-14(13)20/h2-8,10H,9H2,1H3,(H,22,23,25).
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 421.31 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46114069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).