6-fluoro-3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]chromen-2-one

C20H15FN2O2S — CID 166175237

IUPAC6-fluoro-3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]chromen-2-one
SMILESCCCc1cc(-c2nc(-c3cc4cc(F)ccc4oc3=O)cs2)ccn1
InChIInChI=1S/C20H15FN2O2S/c1-2-3-15-9-12(6-7-22-15)19-23-17(11-26-19)16-10-13-8-14(21)4-5-18(13)25-20(16)24/h4-11H,2-3H2,1H3
InChIKeyJGRCAAGAMFOGGH-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.07
Rot. Bonds4

About 6-fluoro-3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]chromen-2-one

6-fluoro-3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]chromen-2-one (PubChem CID 166175237) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-fluoro-3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]chromen-2-one.

Molecular Properties

Compound Name6-fluoro-3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]chromen-2-one
PubChem CID166175237
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC Name6-fluoro-3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]chromen-2-one
SMILESCCCc1cc(-c2nc(-c3cc4cc(F)ccc4oc3=O)cs2)ccn1
InChIInChI=1S/C20H15FN2O2S/c1-2-3-15-9-12(6-7-22-15)19-23-17(11-26-19)16-10-13-8-14(21)4-5-18(13)25-20(16)24/h4-11H,2-3H2,1H3
InChIKeyJGRCAAGAMFOGGH-UHFFFAOYSA-N
XLogP5.07
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.07
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
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
4-[2-[6-(2-Fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
CID 16662194
2-(5-Fluoro-2-methoxyphenyl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine
CID 16662870
5-(2-Ethoxy-6-fluorophenyl)-3-methyl-1-((2-(4-methylthiazol-2-yl)pyridin-4-yl)methyl)pyrrolidin-2-one
CID 69081839
3-(4-phenyl-1,3-thiazol-2-yl)-2H-chromen-2-one
CID 746758

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]chromen-2-one?
The IUPAC name of 6-fluoro-3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]chromen-2-one (CID 166175237) is 6-fluoro-3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]chromen-2-one.
What is the SMILES notation for 6-fluoro-3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]chromen-2-one?
The canonical SMILES for 6-fluoro-3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]chromen-2-one is CCCc1cc(-c2nc(-c3cc4cc(F)ccc4oc3=O)cs2)ccn1.
What is the InChIKey of 6-fluoro-3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]chromen-2-one?
The InChIKey is JGRCAAGAMFOGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c1-2-3-15-9-12(6-7-22-15)19-23-17(11-26-19)16-10-13-8-14(21)4-5-18(13)25-20(16)24/h4-11H,2-3H2,1H3.
What are the key properties of 6-fluoro-3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]chromen-2-one?
6-fluoro-3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]chromen-2-one has a molecular weight of 366.42 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]chromen-2-one is sourced from PubChem (CID 166175237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).