2-amino-5-[3-hydroxy-1-(2-methylprop-2-enyl)-2-oxoindol-3-yl]-1,3-thiazol-4-one

C15H15N3O3S — CID 17176754

IUPAC2-amino-5-[3-hydroxy-1-(2-methylprop-2-enyl)-2-oxoindol-3-yl]-1,3-thiazol-4-one
SMILESC=C(C)CN1C(=O)C(O)(C2SC(N)=NC2=O)c2ccccc21
InChIInChI=1S/C15H15N3O3S/c1-8(2)7-18-10-6-4-3-5-9(10)15(21,13(18)20)11-12(19)17-14(16)22-11/h3-6,11,21H,1,7H2,2H3,(H2,16,17,19)
InChIKeyYLTTUKFHJIYEGS-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.75
Rot. Bonds3

About 2-amino-5-[3-hydroxy-1-(2-methylprop-2-enyl)-2-oxoindol-3-yl]-1,3-thiazol-4-one

2-amino-5-[3-hydroxy-1-(2-methylprop-2-enyl)-2-oxoindol-3-yl]-1,3-thiazol-4-one (PubChem CID 17176754) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-amino-5-[3-hydroxy-1-(2-methylprop-2-enyl)-2-oxoindol-3-yl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-hydroxy-1-(2-methylprop-2-enyl)-2-oxoindol-3-yl]-1,3-thiazol-4-one
PubChem CID17176754
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name2-amino-5-[3-hydroxy-1-(2-methylprop-2-enyl)-2-oxoindol-3-yl]-1,3-thiazol-4-one
SMILESC=C(C)CN1C(=O)C(O)(C2SC(N)=NC2=O)c2ccccc21
InChIInChI=1S/C15H15N3O3S/c1-8(2)7-18-10-6-4-3-5-9(10)15(21,13(18)20)11-12(19)17-14(16)22-11/h3-6,11,21H,1,7H2,2H3,(H2,16,17,19)
InChIKeyYLTTUKFHJIYEGS-UHFFFAOYSA-N
XLogP0.75
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-2-amino-5-[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one
CID 51575279
(5R)-2-amino-5-[(3R)-3-hydroxy-2-oxo-1-[(E)-3-phenylprop-2-enyl]indol-3-yl]-1,3-thiazol-4-one
CID 51465603
(5R)-2-amino-5-[(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one
CID 51575287
(5R)-2-amino-5-[(3R)-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxoindol-3-yl]-1,3-thiazol-4-one
CID 27763046
2-amino-5-[5-bromo-1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one
CID 17176722
(3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 1255704
(3R)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 1255705
(1S,3R,3aR,6aR)-5-benzyl-1-methyl-1'-(2-methylprop-2-enyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-indole]-2',4,6-trione
CID 7320527
3-hydroxy-1-(2-methylprop-2-enyl)-3-[2-(4-nitrophenyl)-2-oxoethyl]indol-2-one
CID 3439472
3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-methylprop-2-enyl)indol-2-one
CID 17078138
(1S,3S,3aS,6aS)-1-benzyl-1'-(2-methylprop-2-enyl)-5-phenylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione
CID 51505392
5-methyl-3-(2-methylprop-2-enyl)-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 17405528

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-hydroxy-1-(2-methylprop-2-enyl)-2-oxoindol-3-yl]-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-[3-hydroxy-1-(2-methylprop-2-enyl)-2-oxoindol-3-yl]-1,3-thiazol-4-one (CID 17176754) is 2-amino-5-[3-hydroxy-1-(2-methylprop-2-enyl)-2-oxoindol-3-yl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-[3-hydroxy-1-(2-methylprop-2-enyl)-2-oxoindol-3-yl]-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-[3-hydroxy-1-(2-methylprop-2-enyl)-2-oxoindol-3-yl]-1,3-thiazol-4-one is C=C(C)CN1C(=O)C(O)(C2SC(N)=NC2=O)c2ccccc21.
What is the InChIKey of 2-amino-5-[3-hydroxy-1-(2-methylprop-2-enyl)-2-oxoindol-3-yl]-1,3-thiazol-4-one?
The InChIKey is YLTTUKFHJIYEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-8(2)7-18-10-6-4-3-5-9(10)15(21,13(18)20)11-12(19)17-14(16)22-11/h3-6,11,21H,1,7H2,2H3,(H2,16,17,19).
What are the key properties of 2-amino-5-[3-hydroxy-1-(2-methylprop-2-enyl)-2-oxoindol-3-yl]-1,3-thiazol-4-one?
2-amino-5-[3-hydroxy-1-(2-methylprop-2-enyl)-2-oxoindol-3-yl]-1,3-thiazol-4-one has a molecular weight of 317.37 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-hydroxy-1-(2-methylprop-2-enyl)-2-oxoindol-3-yl]-1,3-thiazol-4-one is sourced from PubChem (CID 17176754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).