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

C14H11N3O2S — CID 1240326

IUPAC3-(4-hydroxy-2-imino-3-prop-2-enyl-1,3-thiazol-5-yl)indol-2-one
SMILES[H]/N=c1\sc(C2=c3ccccc3=NC2=O)c(O)n1CC=C
InChIInChI=1S/C14H11N3O2S/c1-2-7-17-13(19)11(20-14(17)15)10-8-5-3-4-6-9(8)16-12(10)18/h2-6,15,19H,1,7H2/b15-14-
InChIKeyQDSWTPXSJOHLTM-PFONDFGASA-N
MW285.33 g/mol
LogP0.28
Rot. Bonds3

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

3-(4-hydroxy-2-imino-3-prop-2-enyl-1,3-thiazol-5-yl)indol-2-one (PubChem CID 1240326) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-(4-hydroxy-2-imino-3-prop-2-enyl-1,3-thiazol-5-yl)indol-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-2-imino-3-prop-2-enyl-1,3-thiazol-5-yl)indol-2-one
PubChem CID1240326
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name3-(4-hydroxy-2-imino-3-prop-2-enyl-1,3-thiazol-5-yl)indol-2-one
SMILES[H]/N=c1\sc(C2=c3ccccc3=NC2=O)c(O)n1CC=C
InChIInChI=1S/C14H11N3O2S/c1-2-7-17-13(19)11(20-14(17)15)10-8-5-3-4-6-9(8)16-12(10)18/h2-6,15,19H,1,7H2/b15-14-
InChIKeyQDSWTPXSJOHLTM-PFONDFGASA-N
XLogP0.28
TPSA78.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2-imino-3-prop-2-enyl-1,3-thiazol-5-yl)indol-2-one?
The IUPAC name of 3-(4-hydroxy-2-imino-3-prop-2-enyl-1,3-thiazol-5-yl)indol-2-one (CID 1240326) is 3-(4-hydroxy-2-imino-3-prop-2-enyl-1,3-thiazol-5-yl)indol-2-one.
What is the SMILES notation for 3-(4-hydroxy-2-imino-3-prop-2-enyl-1,3-thiazol-5-yl)indol-2-one?
The canonical SMILES for 3-(4-hydroxy-2-imino-3-prop-2-enyl-1,3-thiazol-5-yl)indol-2-one is [H]/N=c1\sc(C2=c3ccccc3=NC2=O)c(O)n1CC=C.
What is the InChIKey of 3-(4-hydroxy-2-imino-3-prop-2-enyl-1,3-thiazol-5-yl)indol-2-one?
The InChIKey is QDSWTPXSJOHLTM-PFONDFGASA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-2-7-17-13(19)11(20-14(17)15)10-8-5-3-4-6-9(8)16-12(10)18/h2-6,15,19H,1,7H2/b15-14-.
What are the key properties of 3-(4-hydroxy-2-imino-3-prop-2-enyl-1,3-thiazol-5-yl)indol-2-one?
3-(4-hydroxy-2-imino-3-prop-2-enyl-1,3-thiazol-5-yl)indol-2-one has a molecular weight of 285.33 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2-imino-3-prop-2-enyl-1,3-thiazol-5-yl)indol-2-one is sourced from PubChem (CID 1240326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).