3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one

C19H13FN2O2S — CID 1232278

IUPAC3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
SMILESO=c1sc(C=C2C=Nc3ccccc32)c(O)n1Cc1ccccc1F
InChIInChI=1S/C19H13FN2O2S/c20-15-7-3-1-5-12(15)11-22-18(23)17(25-19(22)24)9-13-10-21-16-8-4-2-6-14(13)16/h1-10,23H,11H2
InChIKeyCWMZMXJBQPBOKR-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.06
Rot. Bonds3

About 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one

3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one (PubChem CID 1232278) has the molecular formula C19H13FN2O2S and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
PubChem CID1232278
Molecular FormulaC19H13FN2O2S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC Name3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
SMILESO=c1sc(C=C2C=Nc3ccccc32)c(O)n1Cc1ccccc1F
InChIInChI=1S/C19H13FN2O2S/c20-15-7-3-1-5-12(15)11-22-18(23)17(25-19(22)24)9-13-10-21-16-8-4-2-6-14(13)16/h1-10,23H,11H2
InChIKeyCWMZMXJBQPBOKR-UHFFFAOYSA-N
XLogP4.06
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one (CID 1232278) is 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one is O=c1sc(C=C2C=Nc3ccccc32)c(O)n1Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one?
The InChIKey is CWMZMXJBQPBOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2S/c20-15-7-3-1-5-12(15)11-22-18(23)17(25-19(22)24)9-13-10-21-16-8-4-2-6-14(13)16/h1-10,23H,11H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one?
3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one has a molecular weight of 352.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 1232278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).