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

C19H16Cl2N4O2S — CID 46114112

IUPAC2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCN(CCc1cccnc1)C(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C19H16Cl2N4O2S/c1-25(8-6-12-3-2-7-22-10-12)18(27)16-11-28-19(23-16)24-17(26)14-5-4-13(20)9-15(14)21/h2-5,7,9-11H,6,8H2,1H3,(H,23,24,26)
InChIKeyDNSANAWVPRRWSG-UHFFFAOYSA-N
MW435.34 g/mol
LogP4.41
Rot. Bonds6

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

2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 46114112) has the molecular formula C19H16Cl2N4O2S and a molecular weight of 435.34 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID46114112
Molecular FormulaC19H16Cl2N4O2S
Molecular Weight435.34 g/mol
Exact Mass434.04
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCN(CCc1cccnc1)C(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C19H16Cl2N4O2S/c1-25(8-6-12-3-2-7-22-10-12)18(27)16-11-28-19(23-16)24-17(26)14-5-4-13(20)9-15(14)21/h2-5,7,9-11H,6,8H2,1H3,(H,23,24,26)
InChIKeyDNSANAWVPRRWSG-UHFFFAOYSA-N
XLogP4.41
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.34
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide
CID 108726565
2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46114059
N-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46114064
2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 1254200
1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 62052399
2,4-dichloro-5-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 18277166
N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46172645
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38904720
2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide
CID 51193025
N-(2-pyridin-3-ylethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113889
2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5057994
2-[(Z)-1-aminopentan-3-ylideneamino]-1-[1-(2,4-dichlorophenyl)ethenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide
CID 143255762

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide (CID 46114112) is 2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide is CN(CCc1cccnc1)C(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DNSANAWVPRRWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O2S/c1-25(8-6-12-3-2-7-22-10-12)18(27)16-11-28-19(23-16)24-17(26)14-5-4-13(20)9-15(14)21/h2-5,7,9-11H,6,8H2,1H3,(H,23,24,26).
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide?
2-[(2,4-dichlorobenzoyl)amino]-N-methyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 435.34 g/mol, XLogP of 4.41, 6 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-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46114112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).