ethyl 2-methyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate

C17H15N3O3S — CID 10449986

IUPACethyl 2-methyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1C
InChIInChI=1S/C17H15N3O3S/c1-3-23-17(22)12-8-13(15(21)19-10(12)2)14-9-24-16(20-14)11-4-6-18-7-5-11/h4-9H,3H2,1-2H3,(H,19,21)
InChIKeyMUDAPTILNSVOOR-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.05
Rot. Bonds4

About ethyl 2-methyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate

ethyl 2-methyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate (PubChem CID 10449986) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is ethyl 2-methyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
PubChem CID10449986
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Nameethyl 2-methyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1C
InChIInChI=1S/C17H15N3O3S/c1-3-23-17(22)12-8-13(15(21)19-10(12)2)14-9-24-16(20-14)11-4-6-18-7-5-11/h4-9H,3H2,1-2H3,(H,19,21)
InChIKeyMUDAPTILNSVOOR-UHFFFAOYSA-N
XLogP3.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate (CID 10449986) is ethyl 2-methyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate is CCOC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1C.
What is the InChIKey of ethyl 2-methyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?
The InChIKey is MUDAPTILNSVOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-3-23-17(22)12-8-13(15(21)19-10(12)2)14-9-24-16(20-14)11-4-6-18-7-5-11/h4-9H,3H2,1-2H3,(H,19,21).
What are the key properties of ethyl 2-methyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?
ethyl 2-methyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate has a molecular weight of 341.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate is sourced from PubChem (CID 10449986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).