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

C18H14ClN3O3S — CID 51575287

IUPAC(5R)-2-amino-5-[(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)[C@@H]([C@@]2(O)C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)S1
InChIInChI=1S/C18H14ClN3O3S/c19-11-5-3-4-10(8-11)9-22-13-7-2-1-6-12(13)18(25,16(22)24)14-15(23)21-17(20)26-14/h1-8,14,25H,9H2,(H2,20,21,23)/t14-,18+/m0/s1
InChIKeyVRXJKPIOVFHCBO-KBXCAEBGSA-N
MW387.85 g/mol
LogP2.03
Rot. Bonds3

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

(5R)-2-amino-5-[(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one (PubChem CID 51575287) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is (5R)-2-amino-5-[(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-[(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one
PubChem CID51575287
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC Name(5R)-2-amino-5-[(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)[C@@H]([C@@]2(O)C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)S1
InChIInChI=1S/C18H14ClN3O3S/c19-11-5-3-4-10(8-11)9-22-13-7-2-1-6-12(13)18(25,16(22)24)14-15(23)21-17(20)26-14/h1-8,14,25H,9H2,(H2,20,21,23)/t14-,18+/m0/s1
InChIKeyVRXJKPIOVFHCBO-KBXCAEBGSA-N
XLogP2.03
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxoindol-3-yl]-1,3-thiazol-4-one
CID 27763046
(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
2-amino-5-[5-bromo-1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one
CID 17176722
(3S)-1-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 95244691
1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 45259055
1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
CID 66523103
1'-[(3-chlorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
CID 71291276
(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 95244688
(3R)-1-[(3-chlorophenyl)methyl]-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 95244675
(3S,3'S,4'R)-3'-benzoyl-1-[(3-chlorophenyl)methyl]-1'-methyl-4'-(4-methylphenyl)spiro[indole-3,2'-pyrrolidine]-2-one
CID 129424254
1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 45259060

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-[(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one?
The IUPAC name of (5R)-2-amino-5-[(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one (CID 51575287) is (5R)-2-amino-5-[(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-[(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one?
The canonical SMILES for (5R)-2-amino-5-[(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one is NC1=NC(=O)[C@@H]([C@@]2(O)C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)S1.
What is the InChIKey of (5R)-2-amino-5-[(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one?
The InChIKey is VRXJKPIOVFHCBO-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c19-11-5-3-4-10(8-11)9-22-13-7-2-1-6-12(13)18(25,16(22)24)14-15(23)21-17(20)26-14/h1-8,14,25H,9H2,(H2,20,21,23)/t14-,18+/m0/s1.
What are the key properties of (5R)-2-amino-5-[(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one?
(5R)-2-amino-5-[(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one has a molecular weight of 387.85 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-[(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one is sourced from PubChem (CID 51575287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).