(2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate

C16H11FN2O2S — CID 154750246

IUPAC(2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate
SMILESO=C(OCc1cnc(-c2ccccc2)s1)c1cncc(F)c1
InChIInChI=1S/C16H11FN2O2S/c17-13-6-12(7-18-8-13)16(20)21-10-14-9-19-15(22-14)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyRSCIVJLORYLKBJ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.70
Rot. Bonds4

About (2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate

(2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate (PubChem CID 154750246) has the molecular formula C16H11FN2O2S and a molecular weight of 314.34 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate
PubChem CID154750246
Molecular FormulaC16H11FN2O2S
Molecular Weight314.34 g/mol
Exact Mass314.05
IUPAC Name(2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate
SMILESO=C(OCc1cnc(-c2ccccc2)s1)c1cncc(F)c1
InChIInChI=1S/C16H11FN2O2S/c17-13-6-12(7-18-8-13)16(20)21-10-14-9-19-15(22-14)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyRSCIVJLORYLKBJ-UHFFFAOYSA-N
XLogP3.70
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate?
The IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate (CID 154750246) is (2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate?
The canonical SMILES for (2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate is O=C(OCc1cnc(-c2ccccc2)s1)c1cncc(F)c1.
What is the InChIKey of (2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate?
The InChIKey is RSCIVJLORYLKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2S/c17-13-6-12(7-18-8-13)16(20)21-10-14-9-19-15(22-14)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of (2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate?
(2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate is sourced from PubChem (CID 154750246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).