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

C18H14ClN3O3S — CID 2380906

IUPAC(3R)-3-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-5-chloro-3-hydroxy-1H-indol-2-one
SMILESCOc1ccc(-c2nc(N)sc2[C@]2(O)C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C18H14ClN3O3S/c1-25-11-5-2-9(3-6-11)14-15(26-17(20)22-14)18(24)12-8-10(19)4-7-13(12)21-16(18)23/h2-8,24H,1H3,(H2,20,22)(H,21,23)/t18-/m0/s1
InChIKeyUPIJSEHYNIAZSZ-SFHVURJKSA-N
MW387.85 g/mol
LogP3.24
Rot. Bonds3

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

(3R)-3-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-5-chloro-3-hydroxy-1H-indol-2-one (PubChem CID 2380906) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is (3R)-3-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-5-chloro-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-5-chloro-3-hydroxy-1H-indol-2-one
PubChem CID2380906
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC Name(3R)-3-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-5-chloro-3-hydroxy-1H-indol-2-one
SMILESCOc1ccc(-c2nc(N)sc2[C@]2(O)C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C18H14ClN3O3S/c1-25-11-5-2-9(3-6-11)14-15(26-17(20)22-14)18(24)12-8-10(19)4-7-13(12)21-16(18)23/h2-8,24H,1H3,(H2,20,22)(H,21,23)/t18-/m0/s1
InChIKeyUPIJSEHYNIAZSZ-SFHVURJKSA-N
XLogP3.24
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-[2-amino-4-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one
CID 2473649
5-chloro-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 67428748
5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one
CID 22560825
5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one
CID 22560921
(3R)-3-(2-amino-4-methyl-1,3-thiazol-5-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one
CID 2387125
(3S)-5-chloro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid
CID 39313555
6-chloro-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
CID 24754177
5'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
CID 155223867
(3S)-5-chloro-3-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 39352069
3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one
CID 126473327
3-(2-fluoro-5-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 163232497
(5R)-2-amino-5-[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1,3-thiazol-4-one
CID 92537865

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-5-chloro-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3R)-3-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-5-chloro-3-hydroxy-1H-indol-2-one (CID 2380906) is (3R)-3-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-5-chloro-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3R)-3-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-5-chloro-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3R)-3-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-5-chloro-3-hydroxy-1H-indol-2-one is COc1ccc(-c2nc(N)sc2[C@]2(O)C(=O)Nc3ccc(Cl)cc32)cc1.
What is the InChIKey of (3R)-3-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-5-chloro-3-hydroxy-1H-indol-2-one?
The InChIKey is UPIJSEHYNIAZSZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c1-25-11-5-2-9(3-6-11)14-15(26-17(20)22-14)18(24)12-8-10(19)4-7-13(12)21-16(18)23/h2-8,24H,1H3,(H2,20,22)(H,21,23)/t18-/m0/s1.
What are the key properties of (3R)-3-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-5-chloro-3-hydroxy-1H-indol-2-one?
(3R)-3-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-5-chloro-3-hydroxy-1H-indol-2-one has a molecular weight of 387.85 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-5-chloro-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 2380906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).