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

C19H19N3O3S — CID 10339079

IUPACethyl 6-oxo-2-propyl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
SMILESCCCc1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1C(=O)OCC
InChIInChI=1S/C19H19N3O3S/c1-3-5-15-14(19(24)25-4-2)10-13(17(23)21-15)16-11-26-18(22-16)12-6-8-20-9-7-12/h6-11H,3-5H2,1-2H3,(H,21,23)
InChIKeyCQGFDYLOZSKCBQ-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.69
Rot. Bonds6

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

ethyl 6-oxo-2-propyl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate (PubChem CID 10339079) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is ethyl 6-oxo-2-propyl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-2-propyl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
PubChem CID10339079
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Nameethyl 6-oxo-2-propyl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
SMILESCCCc1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1C(=O)OCC
InChIInChI=1S/C19H19N3O3S/c1-3-5-15-14(19(24)25-4-2)10-13(17(23)21-15)16-11-26-18(22-16)12-6-8-20-9-7-12/h6-11H,3-5H2,1-2H3,(H,21,23)
InChIKeyCQGFDYLOZSKCBQ-UHFFFAOYSA-N
XLogP3.69
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-2-propyl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 6-oxo-2-propyl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate (CID 10339079) is ethyl 6-oxo-2-propyl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-oxo-2-propyl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-oxo-2-propyl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate is CCCc1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1C(=O)OCC.
What is the InChIKey of ethyl 6-oxo-2-propyl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?
The InChIKey is CQGFDYLOZSKCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-3-5-15-14(19(24)25-4-2)10-13(17(23)21-15)16-11-26-18(22-16)12-6-8-20-9-7-12/h6-11H,3-5H2,1-2H3,(H,21,23).
What are the key properties of ethyl 6-oxo-2-propyl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?
ethyl 6-oxo-2-propyl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate has a molecular weight of 369.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-2-propyl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate is sourced from PubChem (CID 10339079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).