methyl 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]pyridine-2-carboxylate

C17H13FN2O3S — CID 71913573

IUPACmethyl 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1OCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H13FN2O3S/c1-22-17(21)15-14(3-2-8-19-15)23-9-13-10-24-16(20-13)11-4-6-12(18)7-5-11/h2-8,10H,9H2,1H3
InChIKeyXFLMTUNIASTDHM-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.71
Rot. Bonds5

About methyl 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]pyridine-2-carboxylate

methyl 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]pyridine-2-carboxylate (PubChem CID 71913573) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]pyridine-2-carboxylate
PubChem CID71913573
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC Namemethyl 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1OCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H13FN2O3S/c1-22-17(21)15-14(3-2-8-19-15)23-9-13-10-24-16(20-13)11-4-6-12(18)7-5-11/h2-8,10H,9H2,1H3
InChIKeyXFLMTUNIASTDHM-UHFFFAOYSA-N
XLogP3.71
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]pyridine-2-carboxylate (CID 71913573) is methyl 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]pyridine-2-carboxylate is COC(=O)c1ncccc1OCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of methyl 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]pyridine-2-carboxylate?
The InChIKey is XFLMTUNIASTDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c1-22-17(21)15-14(3-2-8-19-15)23-9-13-10-24-16(20-13)11-4-6-12(18)7-5-11/h2-8,10H,9H2,1H3.
What are the key properties of methyl 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]pyridine-2-carboxylate?
methyl 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]pyridine-2-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]pyridine-2-carboxylate is sourced from PubChem (CID 71913573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).