[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate

C19H17N3O4S — CID 55994298

IUPAC[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate
SMILESCc1nc(-c2cccc(NC(=O)COC(=O)c3ccn(C)c(=O)c3)c2)cs1
InChIInChI=1S/C19H17N3O4S/c1-12-20-16(11-27-12)13-4-3-5-15(8-13)21-17(23)10-26-19(25)14-6-7-22(2)18(24)9-14/h3-9,11H,10H2,1-2H3,(H,21,23)
InChIKeyIHGVKAGIAOOEEE-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.61
Rot. Bonds5

About [2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate

[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate (PubChem CID 55994298) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is [2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate.

Molecular Properties

Compound Name[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate
PubChem CID55994298
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate
SMILESCc1nc(-c2cccc(NC(=O)COC(=O)c3ccn(C)c(=O)c3)c2)cs1
InChIInChI=1S/C19H17N3O4S/c1-12-20-16(11-27-12)13-4-3-5-15(8-13)21-17(23)10-26-19(25)14-6-7-22(2)18(24)9-14/h3-9,11H,10H2,1-2H3,(H,21,23)
InChIKeyIHGVKAGIAOOEEE-UHFFFAOYSA-N
XLogP2.61
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate with MolForge

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Related Compounds

[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 18266558
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5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 107908820
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161
[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 55355827
N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-2-methoxyacetamide
CID 810478
2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 30859534
[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55356708
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 8850331
2-(4-bromo-2-fluorophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 29315593
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate?
The IUPAC name of [2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate (CID 55994298) is [2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate.
What is the SMILES notation for [2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate?
The canonical SMILES for [2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate is Cc1nc(-c2cccc(NC(=O)COC(=O)c3ccn(C)c(=O)c3)c2)cs1.
What is the InChIKey of [2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate?
The InChIKey is IHGVKAGIAOOEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-12-20-16(11-27-12)13-4-3-5-15(8-13)21-17(23)10-26-19(25)14-6-7-22(2)18(24)9-14/h3-9,11H,10H2,1-2H3,(H,21,23).
What are the key properties of [2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate?
[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate has a molecular weight of 383.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate is sourced from PubChem (CID 55994298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).