5-fluoro-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one

C14H9FN2O2S2 — CID 1299188

IUPAC5-fluoro-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
SMILESC=CCn1c(O)c(C2=c3cc(F)ccc3=NC2=O)sc1=S
InChIInChI=1S/C14H9FN2O2S2/c1-2-5-17-13(19)11(21-14(17)20)10-8-6-7(15)3-4-9(8)16-12(10)18/h2-4,6,19H,1,5H2
InChIKeyNFJBRTLRUQYMHA-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.67
Rot. Bonds3

About 5-fluoro-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one

5-fluoro-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one (PubChem CID 1299188) has the molecular formula C14H9FN2O2S2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 5-fluoro-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
PubChem CID1299188
Molecular FormulaC14H9FN2O2S2
Molecular Weight320.37 g/mol
Exact Mass320.01
IUPAC Name5-fluoro-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
SMILESC=CCn1c(O)c(C2=c3cc(F)ccc3=NC2=O)sc1=S
InChIInChI=1S/C14H9FN2O2S2/c1-2-5-17-13(19)11(21-14(17)20)10-8-6-7(15)3-4-9(8)16-12(10)18/h2-4,6,19H,1,5H2
InChIKeyNFJBRTLRUQYMHA-UHFFFAOYSA-N
XLogP1.67
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
The IUPAC name of 5-fluoro-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one (CID 1299188) is 5-fluoro-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one.
What is the SMILES notation for 5-fluoro-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
The canonical SMILES for 5-fluoro-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one is C=CCn1c(O)c(C2=c3cc(F)ccc3=NC2=O)sc1=S.
What is the InChIKey of 5-fluoro-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
The InChIKey is NFJBRTLRUQYMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S2/c1-2-5-17-13(19)11(21-14(17)20)10-8-6-7(15)3-4-9(8)16-12(10)18/h2-4,6,19H,1,5H2.
What are the key properties of 5-fluoro-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
5-fluoro-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one has a molecular weight of 320.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one is sourced from PubChem (CID 1299188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).