ethyl 2-(5-fluoro-2-pyridinyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate

C15H16FN3O3S — CID 126482357

IUPACethyl 2-(5-fluoro-2-pyridinyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(F)cn2)sc1N1CCOCC1
InChIInChI=1S/C15H16FN3O3S/c1-2-22-15(20)12-14(19-5-7-21-8-6-19)23-13(18-12)11-4-3-10(16)9-17-11/h3-4,9H,2,5-8H2,1H3
InChIKeyCECKCJJXTRNYBR-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.36
Rot. Bonds4

About ethyl 2-(5-fluoro-2-pyridinyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate

ethyl 2-(5-fluoro-2-pyridinyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (PubChem CID 126482357) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 2-(5-fluoro-2-pyridinyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-fluoro-2-pyridinyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
PubChem CID126482357
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Nameethyl 2-(5-fluoro-2-pyridinyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(F)cn2)sc1N1CCOCC1
InChIInChI=1S/C15H16FN3O3S/c1-2-22-15(20)12-14(19-5-7-21-8-6-19)23-13(18-12)11-4-3-10(16)9-17-11/h3-4,9H,2,5-8H2,1H3
InChIKeyCECKCJJXTRNYBR-UHFFFAOYSA-N
XLogP2.36
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(5-fluoro-2-pyridinyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate 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

Ethyl 4-methyl-2-(pyridin-2-yl)thiazole-5-carboxylate
CID 2763623
US11390631, Example 390
CID 126482442
1,3-Benzothiazol-2-ylmethyl pyrazine-2-carboxylate
CID 2364899
Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-4-carboxylate
CID 2746007
5-Chloro-2-(2-pyridinyl)-4-thiazolecarboxylic acid methyl ester
CID 126482326
Ethyl 2-[6-(Trifluoromethyl)-3-pyridyl]thiazole-4-carboxylate
CID 122476126
Ethyl 2-pyridin-2-yl-1,3-thiazole-4-carboxylate
CID 10082761
Ethyl 2-(pyridin-4-YL)thiazole-4-carboxylate
CID 595483
(2-Phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate
CID 2395270
3-Pyridin-2-ylprop-2-ynyl 2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 132318630
2-Methyl-5-[[6-(trifluoromethyl)pyridin-3-yl]amino]-1,3-thiazole-4-carboxylic acid
CID 68406024
5-[(5-Fluoro-3-pyridinyl)amino]-2-methyl-1,3-thiazole-4-carboxylic acid
CID 68407055

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-fluoro-2-pyridinyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(5-fluoro-2-pyridinyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (CID 126482357) is ethyl 2-(5-fluoro-2-pyridinyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(5-fluoro-2-pyridinyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(5-fluoro-2-pyridinyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(-c2ccc(F)cn2)sc1N1CCOCC1.
What is the InChIKey of ethyl 2-(5-fluoro-2-pyridinyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The InChIKey is CECKCJJXTRNYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-2-22-15(20)12-14(19-5-7-21-8-6-19)23-13(18-12)11-4-3-10(16)9-17-11/h3-4,9H,2,5-8H2,1H3.
What are the key properties of ethyl 2-(5-fluoro-2-pyridinyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
ethyl 2-(5-fluoro-2-pyridinyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-fluoro-2-pyridinyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 126482357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).