5-fluoro-3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one

C18H11FN2O3S2 — CID 1303831

IUPAC5-fluoro-3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESCOc1ccc(-n2c(O)c(C3=c4cc(F)ccc4=NC3=O)sc2=S)cc1
InChIInChI=1S/C18H11FN2O3S2/c1-24-11-5-3-10(4-6-11)21-17(23)15(26-18(21)25)14-12-8-9(19)2-7-13(12)20-16(14)22/h2-8,23H,1H3
InChIKeyUYSLSQHIEHKGSH-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.48
Rot. Bonds3

About 5-fluoro-3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one

5-fluoro-3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (PubChem CID 1303831) has the molecular formula C18H11FN2O3S2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 5-fluoro-3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
PubChem CID1303831
Molecular FormulaC18H11FN2O3S2
Molecular Weight386.43 g/mol
Exact Mass386.02
IUPAC Name5-fluoro-3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESCOc1ccc(-n2c(O)c(C3=c4cc(F)ccc4=NC3=O)sc2=S)cc1
InChIInChI=1S/C18H11FN2O3S2/c1-24-11-5-3-10(4-6-11)21-17(23)15(26-18(21)25)14-12-8-9(19)2-7-13(12)20-16(14)22/h2-8,23H,1H3
InChIKeyUYSLSQHIEHKGSH-UHFFFAOYSA-N
XLogP2.48
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 5-fluoro-3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (CID 1303831) is 5-fluoro-3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 5-fluoro-3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 5-fluoro-3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is COc1ccc(-n2c(O)c(C3=c4cc(F)ccc4=NC3=O)sc2=S)cc1.
What is the InChIKey of 5-fluoro-3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is UYSLSQHIEHKGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O3S2/c1-24-11-5-3-10(4-6-11)21-17(23)15(26-18(21)25)14-12-8-9(19)2-7-13(12)20-16(14)22/h2-8,23H,1H3.
What are the key properties of 5-fluoro-3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
5-fluoro-3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 386.43 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 1303831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).