N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dichloro-6-methyl-3-pyridinyl)acetamide

C19H15Cl2N3O2S — CID 24509189

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dichloro-6-methyl-3-pyridinyl)acetamide
SMILESCC(=O)c1sc(NC(=O)Cc2c(Cl)cc(C)nc2Cl)nc1-c1ccccc1
InChIInChI=1S/C19H15Cl2N3O2S/c1-10-8-14(20)13(18(21)22-10)9-15(26)23-19-24-16(17(27-19)11(2)25)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,23,24,26)
InChIKeyGIWCGWMARGFHRW-UHFFFAOYSA-N
MW420.32 g/mol
LogP5.20
Rot. Bonds5

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dichloro-6-methyl-3-pyridinyl)acetamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dichloro-6-methyl-3-pyridinyl)acetamide (PubChem CID 24509189) has the molecular formula C19H15Cl2N3O2S and a molecular weight of 420.32 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dichloro-6-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dichloro-6-methyl-3-pyridinyl)acetamide
PubChem CID24509189
Molecular FormulaC19H15Cl2N3O2S
Molecular Weight420.32 g/mol
Exact Mass419.03
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dichloro-6-methyl-3-pyridinyl)acetamide
SMILESCC(=O)c1sc(NC(=O)Cc2c(Cl)cc(C)nc2Cl)nc1-c1ccccc1
InChIInChI=1S/C19H15Cl2N3O2S/c1-10-8-14(20)13(18(21)22-10)9-15(26)23-19-24-16(17(27-19)11(2)25)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,23,24,26)
InChIKeyGIWCGWMARGFHRW-UHFFFAOYSA-N
XLogP5.20
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.32
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dichloro-6-methyl-3-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-bromophenyl)acetamide
CID 26196726
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 31288202
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 41272183
N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 26196521
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 16831339
ethyl 2-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16575050
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 16952111
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 18586093
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-chloro-5-nitrobenzamide
CID 3636527
N-hydroxy-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide
CID 58121042
N-(1-aminoethylidene)-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide
CID 163703702

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dichloro-6-methyl-3-pyridinyl)acetamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dichloro-6-methyl-3-pyridinyl)acetamide (CID 24509189) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dichloro-6-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dichloro-6-methyl-3-pyridinyl)acetamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dichloro-6-methyl-3-pyridinyl)acetamide is CC(=O)c1sc(NC(=O)Cc2c(Cl)cc(C)nc2Cl)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dichloro-6-methyl-3-pyridinyl)acetamide?
The InChIKey is GIWCGWMARGFHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2S/c1-10-8-14(20)13(18(21)22-10)9-15(26)23-19-24-16(17(27-19)11(2)25)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,23,24,26).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dichloro-6-methyl-3-pyridinyl)acetamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dichloro-6-methyl-3-pyridinyl)acetamide has a molecular weight of 420.32 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dichloro-6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 24509189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).