(5R)-2-amino-5-[(3R)-3-hydroxy-2-oxo-1-[(E)-3-phenylprop-2-enyl]indol-3-yl]-1,3-thiazol-4-one

C20H17N3O3S — CID 51465603

IUPAC(5R)-2-amino-5-[(3R)-3-hydroxy-2-oxo-1-[(E)-3-phenylprop-2-enyl]indol-3-yl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)[C@@H]([C@]2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)S1
InChIInChI=1S/C20H17N3O3S/c21-19-22-17(24)16(27-19)20(26)14-10-4-5-11-15(14)23(18(20)25)12-6-9-13-7-2-1-3-8-13/h1-11,16,26H,12H2,(H2,21,22,24)/b9-6+/t16-,20-/m0/s1
InChIKeyLYDWKMCIKMQRKP-VKBBPXLRSA-N
MW379.44 g/mol
LogP1.89
Rot. Bonds4

About (5R)-2-amino-5-[(3R)-3-hydroxy-2-oxo-1-[(E)-3-phenylprop-2-enyl]indol-3-yl]-1,3-thiazol-4-one

(5R)-2-amino-5-[(3R)-3-hydroxy-2-oxo-1-[(E)-3-phenylprop-2-enyl]indol-3-yl]-1,3-thiazol-4-one (PubChem CID 51465603) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is (5R)-2-amino-5-[(3R)-3-hydroxy-2-oxo-1-[(E)-3-phenylprop-2-enyl]indol-3-yl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-[(3R)-3-hydroxy-2-oxo-1-[(E)-3-phenylprop-2-enyl]indol-3-yl]-1,3-thiazol-4-one
PubChem CID51465603
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name(5R)-2-amino-5-[(3R)-3-hydroxy-2-oxo-1-[(E)-3-phenylprop-2-enyl]indol-3-yl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)[C@@H]([C@]2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)S1
InChIInChI=1S/C20H17N3O3S/c21-19-22-17(24)16(27-19)20(26)14-10-4-5-11-15(14)23(18(20)25)12-6-9-13-7-2-1-3-8-13/h1-11,16,26H,12H2,(H2,21,22,24)/b9-6+/t16-,20-/m0/s1
InChIKeyLYDWKMCIKMQRKP-VKBBPXLRSA-N
XLogP1.89
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[3-hydroxy-1-(2-methylprop-2-enyl)-2-oxoindol-3-yl]-1,3-thiazol-4-one
CID 17176754
(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
(3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one
CID 98392744
2-amino-5-[5-bromo-1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one
CID 17176722
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 17131876
1'-(1H-imidazole-2-carbonyl)-1-(3-phenylprop-2-enyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 171153478
3-[2-(4-tert-butyl-2,6-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 17131897
2-amino-5,5-diphenyl-3-(3-phenylprop-2-enyl)imidazol-4-one
CID 44530179
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 17131889
(1S,3R,3aR,6aS)-5-benzyl-1-methyl-1'-[(Z)-3-phenylprop-2-enyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione
CID 51543964
(3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 1249734

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-[(3R)-3-hydroxy-2-oxo-1-[(E)-3-phenylprop-2-enyl]indol-3-yl]-1,3-thiazol-4-one?
The IUPAC name of (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) is (5R)-2-amino-5-[(3R)-3-hydroxy-2-oxo-1-[(E)-3-phenylprop-2-enyl]indol-3-yl]-1,3-thiazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-[(3R)-3-hydroxy-2-oxo-1-[(E)-3-phenylprop-2-enyl]indol-3-yl]-1,3-thiazol-4-one?
The canonical SMILES for (5R)-2-amino-5-[(3R)-3-hydroxy-2-oxo-1-[(E)-3-phenylprop-2-enyl]indol-3-yl]-1,3-thiazol-4-one is NC1=NC(=O)[C@@H]([C@]2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)S1.
What is the InChIKey of (5R)-2-amino-5-[(3R)-3-hydroxy-2-oxo-1-[(E)-3-phenylprop-2-enyl]indol-3-yl]-1,3-thiazol-4-one?
The InChIKey is LYDWKMCIKMQRKP-VKBBPXLRSA-N. The full InChI is InChI=1S/C20H17N3O3S/c21-19-22-17(24)16(27-19)20(26)14-10-4-5-11-15(14)23(18(20)25)12-6-9-13-7-2-1-3-8-13/h1-11,16,26H,12H2,(H2,21,22,24)/b9-6+/t16-,20-/m0/s1.
What are the key properties of (5R)-2-amino-5-[(3R)-3-hydroxy-2-oxo-1-[(E)-3-phenylprop-2-enyl]indol-3-yl]-1,3-thiazol-4-one?
(5R)-2-amino-5-[(3R)-3-hydroxy-2-oxo-1-[(E)-3-phenylprop-2-enyl]indol-3-yl]-1,3-thiazol-4-one has a molecular weight of 379.44 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-[(3R)-3-hydroxy-2-oxo-1-[(E)-3-phenylprop-2-enyl]indol-3-yl]-1,3-thiazol-4-one is sourced from PubChem (CID 51465603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).