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

C17H11N3O3S — CID 707417

IUPAC3-[4-hydroxy-2-(3-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(Nc2cccc(O)c2)nc1O
InChIInChI=1S/C17H11N3O3S/c21-10-5-3-4-9(8-10)18-17-20-16(23)14(24-17)13-11-6-1-2-7-12(11)19-15(13)22/h1-8,21,23H,(H,18,20)
InChIKeyVNUHBXNTQMYZFC-UHFFFAOYSA-N
MW337.36 g/mol
LogP1.66
Rot. Bonds3

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

3-[4-hydroxy-2-(3-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one (PubChem CID 707417) has the molecular formula C17H11N3O3S and a molecular weight of 337.36 g/mol. Its IUPAC name is 3-[4-hydroxy-2-(3-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-2-(3-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one
PubChem CID707417
Molecular FormulaC17H11N3O3S
Molecular Weight337.36 g/mol
Exact Mass337.05
IUPAC Name3-[4-hydroxy-2-(3-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(Nc2cccc(O)c2)nc1O
InChIInChI=1S/C17H11N3O3S/c21-10-5-3-4-9(8-10)18-17-20-16(23)14(24-17)13-11-6-1-2-7-12(11)19-15(13)22/h1-8,21,23H,(H,18,20)
InChIKeyVNUHBXNTQMYZFC-UHFFFAOYSA-N
XLogP1.66
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-2-(3-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[4-hydroxy-2-(3-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one (CID 707417) is 3-[4-hydroxy-2-(3-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[4-hydroxy-2-(3-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[4-hydroxy-2-(3-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one is O=C1N=c2ccccc2=C1c1sc(Nc2cccc(O)c2)nc1O.
What is the InChIKey of 3-[4-hydroxy-2-(3-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is VNUHBXNTQMYZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3S/c21-10-5-3-4-9(8-10)18-17-20-16(23)14(24-17)13-11-6-1-2-7-12(11)19-15(13)22/h1-8,21,23H,(H,18,20).
What are the key properties of 3-[4-hydroxy-2-(3-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one?
3-[4-hydroxy-2-(3-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 337.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-2-(3-hydroxyanilino)-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 707417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).