3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one

C17H11N3O2S — CID 162393244

IUPAC3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Nc1nc(-c2ccc(O)cc2)cs1
InChIInChI=1S/C17H11N3O2S/c21-11-7-5-10(6-8-11)14-9-23-17(19-14)20-15-12-3-1-2-4-13(12)18-16(15)22/h1-9,21H,(H,18,19,20,22)
InChIKeyLRBXQONAOKXKNL-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.59
Rot. Bonds2

About 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one

3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one (PubChem CID 162393244) has the molecular formula C17H11N3O2S and a molecular weight of 321.36 g/mol. Its IUPAC name is 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one.

Molecular Properties

Compound Name3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one
PubChem CID162393244
Molecular FormulaC17H11N3O2S
Molecular Weight321.36 g/mol
Exact Mass321.06
IUPAC Name3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Nc1nc(-c2ccc(O)cc2)cs1
InChIInChI=1S/C17H11N3O2S/c21-11-7-5-10(6-8-11)14-9-23-17(19-14)20-15-12-3-1-2-4-13(12)18-16(15)22/h1-9,21H,(H,18,19,20,22)
InChIKeyLRBXQONAOKXKNL-UHFFFAOYSA-N
XLogP3.59
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one?
The IUPAC name of 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one (CID 162393244) is 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one.
What is the SMILES notation for 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one?
The canonical SMILES for 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one is O=C1Nc2ccccc2C1=Nc1nc(-c2ccc(O)cc2)cs1.
What is the InChIKey of 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one?
The InChIKey is LRBXQONAOKXKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2S/c21-11-7-5-10(6-8-11)14-9-23-17(19-14)20-15-12-3-1-2-4-13(12)18-16(15)22/h1-9,21H,(H,18,19,20,22).
What are the key properties of 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one?
3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one has a molecular weight of 321.36 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one is sourced from PubChem (CID 162393244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).