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

C24H21N3O4S — CID 10366345

IUPACethyl 6-oxo-2-(phenylmethoxymethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1COCc1ccccc1
InChIInChI=1S/C24H21N3O4S/c1-2-31-24(29)19-12-18(21-15-32-23(27-21)17-8-10-25-11-9-17)22(28)26-20(19)14-30-13-16-6-4-3-5-7-16/h3-12,15H,2,13-14H2,1H3,(H,26,28)
InChIKeyBFTWSRLZLPPTHF-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.45
Rot. Bonds8

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

ethyl 6-oxo-2-(phenylmethoxymethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate (PubChem CID 10366345) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is ethyl 6-oxo-2-(phenylmethoxymethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-2-(phenylmethoxymethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
PubChem CID10366345
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC Nameethyl 6-oxo-2-(phenylmethoxymethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1COCc1ccccc1
InChIInChI=1S/C24H21N3O4S/c1-2-31-24(29)19-12-18(21-15-32-23(27-21)17-8-10-25-11-9-17)22(28)26-20(19)14-30-13-16-6-4-3-5-7-16/h3-12,15H,2,13-14H2,1H3,(H,26,28)
InChIKeyBFTWSRLZLPPTHF-UHFFFAOYSA-N
XLogP4.45
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 6-oxo-2-(phenylmethoxymethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Methyl 2-oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-5-carboxylate
CID 24768284
4-Hydroxy-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 54707814
Ethyl 2-ethyl-6-oxo-5-(2-(4-pyridinyl)-1,3-thiazol-4-yl)-1,6-dihydro-3-pyridinecarboxylate
CID 9820021
Ethyl 2-cyclopropyl-6-oxo-5-(2-(4-pyridinyl)-1,3-thiazol-4-yl)-1,6-dihydro-3-pyridinecarboxylate
CID 9999043
Ethyl 5-(2-(2-chloro-4-pyridinyl)-1,3-thiazol-4-yl)-2-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate
CID 10068087
(1-methylpiperidin-3-yl) 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
CID 10094686
2-Isopropyl-6-oxo-5-(2-pyridin-4-yl-thiazol-4-yl)-1,6-dihydro-pyridine-3-carboxylic acid 2-pyrrolidin-1-yl-ethyl ester
CID 10252593
ethyl 6-oxo-2-propyl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
CID 10339079
2-phenylethyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
CID 10366241
3-(diethylamino)propyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
CID 10389267
Ethyl 2-methyl-6-oxo-5-(2-(2-(amino)-4-pyridinyl)-1,3-thiazol-4-yl)-1,6-dihydro-3-pyridinecarboxylate
CID 10405971
2-Isopropyl-6-oxo-5-(2-pyridin-4-yl-thiazol-4-yl)-1,6-dihydro-pyridine-3-carboxylic acid 2-diethylamino-ethyl ester
CID 10433386

Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-2-(phenylmethoxymethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 6-oxo-2-(phenylmethoxymethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate (CID 10366345) is ethyl 6-oxo-2-(phenylmethoxymethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-oxo-2-(phenylmethoxymethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-oxo-2-(phenylmethoxymethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate is CCOC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1COCc1ccccc1.
What is the InChIKey of ethyl 6-oxo-2-(phenylmethoxymethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?
The InChIKey is BFTWSRLZLPPTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-2-31-24(29)19-12-18(21-15-32-23(27-21)17-8-10-25-11-9-17)22(28)26-20(19)14-30-13-16-6-4-3-5-7-16/h3-12,15H,2,13-14H2,1H3,(H,26,28).
What are the key properties of ethyl 6-oxo-2-(phenylmethoxymethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?
ethyl 6-oxo-2-(phenylmethoxymethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate has a molecular weight of 447.52 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-2-(phenylmethoxymethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate is sourced from PubChem (CID 10366345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).