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

C12H9N3O2S — CID 1357059

IUPAC3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one
SMILES[H]/N=c1\sc(C2=c3ccccc3=NC2=O)c(O)n1C
InChIInChI=1S/C12H9N3O2S/c1-15-11(17)9(18-12(15)13)8-6-4-2-3-5-7(6)14-10(8)16/h2-5,13,17H,1H3/b13-12-
InChIKeyTXEIKGYDIWOWSJ-SEYXRHQNSA-N
MW259.29 g/mol
LogP-0.37
Rot. Bonds1

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

3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one (PubChem CID 1357059) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one
PubChem CID1357059
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one
SMILES[H]/N=c1\sc(C2=c3ccccc3=NC2=O)c(O)n1C
InChIInChI=1S/C12H9N3O2S/c1-15-11(17)9(18-12(15)13)8-6-4-2-3-5-7(6)14-10(8)16/h2-5,13,17H,1H3/b13-12-
InChIKeyTXEIKGYDIWOWSJ-SEYXRHQNSA-N
XLogP-0.37
TPSA78.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ClpB-IN-1
CID 1370080
2-(azapropylidene)-3-ethyl-5-(2-oxo(1H-benzo[d]azolin-3-ylidene))-1,3-thiazoli din-4-one
CID 2143071
(5E)-3-Acetyl-5-[(2-hydroxy-7-methylquinolin-3-YL)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 135531002
(3Z)-3-[(3-acetyl-4-hydroxy-2-imino-1,3-thiazol-5-yl)methylidene]-7-methylquinolin-2-one
CID 135883142
3-(3-allyl-2-imino-4-oxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
CID 1240326
(3Z)-3-(4-hydroxy-2-oxo-1,3-thiazol-5(2H)-ylidene)-5-methyl-1,3-dihydro-2H-indol-2-one
CID 1383950
(E)-3-ethyl-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one
CID 1321911
2-(azapropylidene)-3-ethyl-5-(5-fluoro-2-oxo(1H-benzo[d]azolin-3-ylidene))-1,3-thiazolidin-4-one
CID 4515495
3-ethyl-5-(5-fluoro-2-oxo(1H-benzo[d]azolin-3-ylidene))-1,3-thiazolidine-2,4-d ione
CID 4515594
3-acetyl-2-imino-5-[(7-methyl-2-oxo-1H-quinolin-3-yl)methylidene]-4-thiazolidinone
CID 136848705
5-bromo-3-(2-imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
CID 1206033
(5Z)-5-(5-methyl-2-oxo-1H-indol-3-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1342982

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one?
The IUPAC name of 3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one (CID 1357059) is 3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one.
What is the SMILES notation for 3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one?
The canonical SMILES for 3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one is [H]/N=c1\sc(C2=c3ccccc3=NC2=O)c(O)n1C.
What is the InChIKey of 3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one?
The InChIKey is TXEIKGYDIWOWSJ-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H9N3O2S/c1-15-11(17)9(18-12(15)13)8-6-4-2-3-5-7(6)14-10(8)16/h2-5,13,17H,1H3/b13-12-.
What are the key properties of 3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one?
3-(4-hydroxy-2-imino-3-methyl-1,3-thiazol-5-yl)indol-2-one has a molecular weight of 259.29 g/mol, XLogP of -0.37, 1 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-methyl-1,3-thiazol-5-yl)indol-2-one is sourced from PubChem (CID 1357059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).