(5R)-2-amino-5-[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1,3-thiazol-4-one

C11H8ClN3O3S — CID 92537865

IUPAC(5R)-2-amino-5-[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)[C@@H]([C@]2(O)C(=O)Nc3ccc(Cl)cc32)S1
InChIInChI=1S/C11H8ClN3O3S/c12-4-1-2-6-5(3-4)11(18,9(17)14-6)7-8(16)15-10(13)19-7/h1-3,7,18H,(H,14,17)(H2,13,15,16)/t7-,11-/m0/s1
InChIKeyOLCBRCKUMGFJMV-CPCISQLKSA-N
MW297.72 g/mol
LogP0.44
Rot. Bonds1

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

(5R)-2-amino-5-[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1,3-thiazol-4-one (PubChem CID 92537865) has the molecular formula C11H8ClN3O3S and a molecular weight of 297.72 g/mol. Its IUPAC name is (5R)-2-amino-5-[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1,3-thiazol-4-one
PubChem CID92537865
Molecular FormulaC11H8ClN3O3S
Molecular Weight297.72 g/mol
Exact Mass297.00
IUPAC Name(5R)-2-amino-5-[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)[C@@H]([C@]2(O)C(=O)Nc3ccc(Cl)cc32)S1
InChIInChI=1S/C11H8ClN3O3S/c12-4-1-2-6-5(3-4)11(18,9(17)14-6)7-8(16)15-10(13)19-7/h1-3,7,18H,(H,14,17)(H2,13,15,16)/t7-,11-/m0/s1
InChIKeyOLCBRCKUMGFJMV-CPCISQLKSA-N
XLogP0.44
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (5R)-2-amino-5-[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-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

(3S)-5-chloro-3-hydroxy-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one
CID 46209599
(3R)-5-chloro-3-hydroxy-3-[(1S)-2-oxocyclohexyl]-1H-indol-2-one
CID 132583152
(5R)-2-amino-5-[(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one
CID 51575287
5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one
CID 159617645
(3S)-3-amino-5-chloro-3-(hydroxymethyl)-1H-indol-2-one
CID 130804081
4'-amino-5-chloro-1',1'-dioxospiro[1H-indole-3,3'-2H-1,2,5-thiadiazole]-2-one
CID 137321300
(3R)-3-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-5-chloro-3-hydroxy-1H-indol-2-one
CID 2380906
5-chloro-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 67428748
5-chloro-3-diphenylphosphoryl-3-hydroxy-1H-indol-2-one
CID 138968426
5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one
CID 18753035
(2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 15956368
(3R,3'S)-5-chloro-2',2'-dimethyl-3'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 15956403

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1,3-thiazol-4-one?
The IUPAC name of (5R)-2-amino-5-[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1,3-thiazol-4-one (CID 92537865) is (5R)-2-amino-5-[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1,3-thiazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1,3-thiazol-4-one?
The canonical SMILES for (5R)-2-amino-5-[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1,3-thiazol-4-one is NC1=NC(=O)[C@@H]([C@]2(O)C(=O)Nc3ccc(Cl)cc32)S1.
What is the InChIKey of (5R)-2-amino-5-[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1,3-thiazol-4-one?
The InChIKey is OLCBRCKUMGFJMV-CPCISQLKSA-N. The full InChI is InChI=1S/C11H8ClN3O3S/c12-4-1-2-6-5(3-4)11(18,9(17)14-6)7-8(16)15-10(13)19-7/h1-3,7,18H,(H,14,17)(H2,13,15,16)/t7-,11-/m0/s1.
What are the key properties of (5R)-2-amino-5-[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1,3-thiazol-4-one?
(5R)-2-amino-5-[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1,3-thiazol-4-one has a molecular weight of 297.72 g/mol, XLogP of 0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1,3-thiazol-4-one is sourced from PubChem (CID 92537865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).