3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methoxy]pyridine-4-carboxylic acid

C14H10N2O4S — CID 81438950

IUPAC3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCc1csc(-c2ccco2)n1
InChIInChI=1S/C14H10N2O4S/c17-14(18)10-3-4-15-6-12(10)20-7-9-8-21-13(16-9)11-2-1-5-19-11/h1-6,8H,7H2,(H,17,18)
InChIKeyRWTMWFCXSXSCPQ-UHFFFAOYSA-N
MW302.31 g/mol
LogP3.08
Rot. Bonds5

About 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methoxy]pyridine-4-carboxylic acid

3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methoxy]pyridine-4-carboxylic acid (PubChem CID 81438950) has the molecular formula C14H10N2O4S and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methoxy]pyridine-4-carboxylic acid
PubChem CID81438950
Molecular FormulaC14H10N2O4S
Molecular Weight302.31 g/mol
Exact Mass302.04
IUPAC Name3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCc1csc(-c2ccco2)n1
InChIInChI=1S/C14H10N2O4S/c17-14(18)10-3-4-15-6-12(10)20-7-9-8-21-13(16-9)11-2-1-5-19-11/h1-6,8H,7H2,(H,17,18)
InChIKeyRWTMWFCXSXSCPQ-UHFFFAOYSA-N
XLogP3.08
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methoxy]pyridine-4-carboxylic acid (CID 81438950) is 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methoxy]pyridine-4-carboxylic acid is O=C(O)c1ccncc1OCc1csc(-c2ccco2)n1.
What is the InChIKey of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methoxy]pyridine-4-carboxylic acid?
The InChIKey is RWTMWFCXSXSCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S/c17-14(18)10-3-4-15-6-12(10)20-7-9-8-21-13(16-9)11-2-1-5-19-11/h1-6,8H,7H2,(H,17,18).
What are the key properties of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methoxy]pyridine-4-carboxylic acid?
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methoxy]pyridine-4-carboxylic acid has a molecular weight of 302.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81438950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).