[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate

C16H11F3N2O4S — CID 55529508

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
SMILESO=C(OCc1csc(-c2ccco2)n1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C16H11F3N2O4S/c17-16(18,19)9-25-13-4-3-10(6-20-13)15(22)24-7-11-8-26-14(21-11)12-2-1-5-23-12/h1-6,8H,7,9H2
InChIKeyHKQXNVZLGPGAFL-UHFFFAOYSA-N
MW384.34 g/mol
LogP4.10
Rot. Bonds6

About [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate (PubChem CID 55529508) has the molecular formula C16H11F3N2O4S and a molecular weight of 384.34 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
PubChem CID55529508
Molecular FormulaC16H11F3N2O4S
Molecular Weight384.34 g/mol
Exact Mass384.04
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
SMILESO=C(OCc1csc(-c2ccco2)n1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C16H11F3N2O4S/c17-16(18,19)9-25-13-4-3-10(6-20-13)15(22)24-7-11-8-26-14(21-11)12-2-1-5-23-12/h1-6,8H,7,9H2
InChIKeyHKQXNVZLGPGAFL-UHFFFAOYSA-N
XLogP4.10
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate (CID 55529508) is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate is O=C(OCc1csc(-c2ccco2)n1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
The InChIKey is HKQXNVZLGPGAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O4S/c17-16(18,19)9-25-13-4-3-10(6-20-13)15(22)24-7-11-8-26-14(21-11)12-2-1-5-23-12/h1-6,8H,7,9H2.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate has a molecular weight of 384.34 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 55529508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).