3-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-6-fluorochromen-2-one

C19H13FN2O2S — CID 166175216

IUPAC3-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-6-fluorochromen-2-one
SMILESCCc1cc(-c2nc(-c3cc4cc(F)ccc4oc3=O)cs2)ccn1
InChIInChI=1S/C19H13FN2O2S/c1-2-14-8-11(5-6-21-14)18-22-16(10-25-18)15-9-12-7-13(20)3-4-17(12)24-19(15)23/h3-10H,2H2,1H3
InChIKeyJUKAYMLGZKMAFY-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.68
Rot. Bonds3

About 3-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-6-fluorochromen-2-one

3-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-6-fluorochromen-2-one (PubChem CID 166175216) has the molecular formula C19H13FN2O2S and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-6-fluorochromen-2-one.

Molecular Properties

Compound Name3-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-6-fluorochromen-2-one
PubChem CID166175216
Molecular FormulaC19H13FN2O2S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC Name3-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-6-fluorochromen-2-one
SMILESCCc1cc(-c2nc(-c3cc4cc(F)ccc4oc3=O)cs2)ccn1
InChIInChI=1S/C19H13FN2O2S/c1-2-14-8-11(5-6-21-14)18-22-16(10-25-18)15-9-12-7-13(20)3-4-17(12)24-19(15)23/h3-10H,2H2,1H3
InChIKeyJUKAYMLGZKMAFY-UHFFFAOYSA-N
XLogP4.68
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057056
5-(4-Methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one
CID 10475456
7-(Diethylamino)-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one
CID 389235
2-(2-Methoxyphenyl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine
CID 16662929
5-Methyl-2-(2-pyridinyl)-1,3-thiazol-4-yl 2,4-difluorobenzenecarboxylate
CID 3730790
5-Methyl-2-(4-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate
CID 4353060
5-(4-Methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-3-ylpyridin-2-one
CID 11101191
7-(diethylamino)-3-(4-phenyl-1,3-thiazol-2-yl)-2H-chromen-2-one
CID 1831259
[4-[2-(2-Propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl] benzoate
CID 25012734
2-(5-Fluoro-2-methoxyphenyl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine
CID 16662870
3-(4-phenyl-1,3-thiazol-2-yl)-2H-chromen-2-one
CID 746758
5-Methyl-2-(4-pyridinyl)-1,3-thiazol-4-yl 2,4-difluorobenzenecarboxylate
CID 3506632

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-6-fluorochromen-2-one?
The IUPAC name of 3-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-6-fluorochromen-2-one (CID 166175216) is 3-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-6-fluorochromen-2-one.
What is the SMILES notation for 3-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-6-fluorochromen-2-one?
The canonical SMILES for 3-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-6-fluorochromen-2-one is CCc1cc(-c2nc(-c3cc4cc(F)ccc4oc3=O)cs2)ccn1.
What is the InChIKey of 3-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-6-fluorochromen-2-one?
The InChIKey is JUKAYMLGZKMAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2S/c1-2-14-8-11(5-6-21-14)18-22-16(10-25-18)15-9-12-7-13(20)3-4-17(12)24-19(15)23/h3-10H,2H2,1H3.
What are the key properties of 3-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-6-fluorochromen-2-one?
3-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-6-fluorochromen-2-one has a molecular weight of 352.39 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-6-fluorochromen-2-one is sourced from PubChem (CID 166175216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).