N-[4-(3-benzyl-3,4-dimethyl-2,6-dioxo-1-pyridinyl)-3-chlorophenyl]-1,3-thiazole-2-carboxamide

C24H20ClN3O3S — CID 123947930

IUPACN-[4-(3-benzyl-3,4-dimethyl-2,6-dioxo-1-pyridinyl)-3-chlorophenyl]-1,3-thiazole-2-carboxamide
SMILESCC1=CC(=O)N(c2ccc(NC(=O)c3nccs3)cc2Cl)C(=O)C1(C)Cc1ccccc1
InChIInChI=1S/C24H20ClN3O3S/c1-15-12-20(29)28(23(31)24(15,2)14-16-6-4-3-5-7-16)19-9-8-17(13-18(19)25)27-21(30)22-26-10-11-32-22/h3-13H,14H2,1-2H3,(H,27,30)
InChIKeyONQRFWFMBVNJBR-UHFFFAOYSA-N
MW465.96 g/mol
LogP5.12
Rot. Bonds5

About N-[4-(3-benzyl-3,4-dimethyl-2,6-dioxo-1-pyridinyl)-3-chlorophenyl]-1,3-thiazole-2-carboxamide

N-[4-(3-benzyl-3,4-dimethyl-2,6-dioxo-1-pyridinyl)-3-chlorophenyl]-1,3-thiazole-2-carboxamide (PubChem CID 123947930) has the molecular formula C24H20ClN3O3S and a molecular weight of 465.96 g/mol. Its IUPAC name is N-[4-(3-benzyl-3,4-dimethyl-2,6-dioxo-1-pyridinyl)-3-chlorophenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-benzyl-3,4-dimethyl-2,6-dioxo-1-pyridinyl)-3-chlorophenyl]-1,3-thiazole-2-carboxamide
PubChem CID123947930
Molecular FormulaC24H20ClN3O3S
Molecular Weight465.96 g/mol
Exact Mass465.09
IUPAC NameN-[4-(3-benzyl-3,4-dimethyl-2,6-dioxo-1-pyridinyl)-3-chlorophenyl]-1,3-thiazole-2-carboxamide
SMILESCC1=CC(=O)N(c2ccc(NC(=O)c3nccs3)cc2Cl)C(=O)C1(C)Cc1ccccc1
InChIInChI=1S/C24H20ClN3O3S/c1-15-12-20(29)28(23(31)24(15,2)14-16-6-4-3-5-7-16)19-9-8-17(13-18(19)25)27-21(30)22-26-10-11-32-22/h3-13H,14H2,1-2H3,(H,27,30)
InChIKeyONQRFWFMBVNJBR-UHFFFAOYSA-N
XLogP5.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.96
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[4-(3-benzyl-3,4-dimethyl-2,6-dioxo-1-pyridinyl)-3-chlorophenyl]-1,3-thiazole-2-carboxamide with MolForge

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Related Compounds

N-[4-(3-benzyl-3-methyl-2,5-dioxo-4-propylpyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide
CID 123642268
N-(1-methylindazol-6-yl)-1,3-thiazole-2-carboxamide
CID 110467967
N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide
CID 162247668
N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 142663321
N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide
CID 45110765
N-[3-chloro-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]pyridine-2-carboxamide
CID 53233277
N-(2-hydroxyphenyl)-1,3-thiazole-2-carboxamide
CID 110467924
N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride
CID 56649211
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-5-ethylfuran-2-carboxamide
CID 122193161
1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-ylmethyl)urea
CID 110446996
N-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide
CID 123639500
N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 42645473

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-benzyl-3,4-dimethyl-2,6-dioxo-1-pyridinyl)-3-chlorophenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[4-(3-benzyl-3,4-dimethyl-2,6-dioxo-1-pyridinyl)-3-chlorophenyl]-1,3-thiazole-2-carboxamide (CID 123947930) is N-[4-(3-benzyl-3,4-dimethyl-2,6-dioxo-1-pyridinyl)-3-chlorophenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[4-(3-benzyl-3,4-dimethyl-2,6-dioxo-1-pyridinyl)-3-chlorophenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[4-(3-benzyl-3,4-dimethyl-2,6-dioxo-1-pyridinyl)-3-chlorophenyl]-1,3-thiazole-2-carboxamide is CC1=CC(=O)N(c2ccc(NC(=O)c3nccs3)cc2Cl)C(=O)C1(C)Cc1ccccc1.
What is the InChIKey of N-[4-(3-benzyl-3,4-dimethyl-2,6-dioxo-1-pyridinyl)-3-chlorophenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is ONQRFWFMBVNJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3S/c1-15-12-20(29)28(23(31)24(15,2)14-16-6-4-3-5-7-16)19-9-8-17(13-18(19)25)27-21(30)22-26-10-11-32-22/h3-13H,14H2,1-2H3,(H,27,30).
What are the key properties of N-[4-(3-benzyl-3,4-dimethyl-2,6-dioxo-1-pyridinyl)-3-chlorophenyl]-1,3-thiazole-2-carboxamide?
N-[4-(3-benzyl-3,4-dimethyl-2,6-dioxo-1-pyridinyl)-3-chlorophenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 465.96 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-benzyl-3,4-dimethyl-2,6-dioxo-1-pyridinyl)-3-chlorophenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 123947930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).