(5S)-2-amino-5-[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one

C18H13Cl2N3O3S — CID 51575279

IUPAC(5S)-2-amino-5-[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)[C@H]([C@@]2(O)C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)S1
InChIInChI=1S/C18H13Cl2N3O3S/c19-11-5-3-6-12(20)9(11)8-23-13-7-2-1-4-10(13)18(26,16(23)25)14-15(24)22-17(21)27-14/h1-7,14,26H,8H2,(H2,21,22,24)/t14-,18-/m1/s1
InChIKeyUINSKUUFZXNLBL-RDTXWAMCSA-N
MW422.29 g/mol
LogP2.68
Rot. Bonds3

About (5S)-2-amino-5-[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one

(5S)-2-amino-5-[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one (PubChem CID 51575279) has the molecular formula C18H13Cl2N3O3S and a molecular weight of 422.29 g/mol. Its IUPAC name is (5S)-2-amino-5-[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5S)-2-amino-5-[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one
PubChem CID51575279
Molecular FormulaC18H13Cl2N3O3S
Molecular Weight422.29 g/mol
Exact Mass421.01
IUPAC Name(5S)-2-amino-5-[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)[C@H]([C@@]2(O)C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)S1
InChIInChI=1S/C18H13Cl2N3O3S/c19-11-5-3-6-12(20)9(11)8-23-13-7-2-1-4-10(13)18(26,16(23)25)14-15(24)22-17(21)27-14/h1-7,14,26H,8H2,(H2,21,22,24)/t14-,18-/m1/s1
InChIKeyUINSKUUFZXNLBL-RDTXWAMCSA-N
XLogP2.68
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5S)-2-amino-5-[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-2-amino-5-[(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one
CID 51575287
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-[(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-[(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
(5R)-2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one
CID 40510286
(3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 1425884
1-[(2,6-dichlorophenyl)methyl]-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 17088446
(3R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one
CID 1425903
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 1425900
(3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one
CID 7106104
(3R)-3-[(1R,5R)-5-tert-butyl-2-oxocyclohexyl]-1-[(4-chlorophenyl)methyl]-3-hydroxyindol-2-one
CID 100824232

Frequently Asked Questions

What is the IUPAC name of (5S)-2-amino-5-[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one?
The IUPAC name of (5S)-2-amino-5-[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one (CID 51575279) is (5S)-2-amino-5-[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one.
What is the SMILES notation for (5S)-2-amino-5-[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one?
The canonical SMILES for (5S)-2-amino-5-[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one is NC1=NC(=O)[C@H]([C@@]2(O)C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)S1.
What is the InChIKey of (5S)-2-amino-5-[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one?
The InChIKey is UINSKUUFZXNLBL-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H13Cl2N3O3S/c19-11-5-3-6-12(20)9(11)8-23-13-7-2-1-4-10(13)18(26,16(23)25)14-15(24)22-17(21)27-14/h1-7,14,26H,8H2,(H2,21,22,24)/t14-,18-/m1/s1.
What are the key properties of (5S)-2-amino-5-[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one?
(5S)-2-amino-5-[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one has a molecular weight of 422.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-amino-5-[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one is sourced from PubChem (CID 51575279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).