(3R)-3-[2-amino-4-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one

C17H9Cl4N3O2S — CID 2473649

IUPAC(3R)-3-[2-amino-4-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one
SMILESNc1nc(-c2ccc(Cl)c(Cl)c2)c([C@]2(O)C(=O)Nc3c(Cl)cc(Cl)cc32)s1
InChIInChI=1S/C17H9Cl4N3O2S/c18-7-4-8-13(11(21)5-7)23-15(25)17(8,26)14-12(24-16(22)27-14)6-1-2-9(19)10(20)3-6/h1-5,26H,(H2,22,24)(H,23,25)/t17-/m0/s1
InChIKeyPZLWJCPJZUGROY-KRWDZBQOSA-N
MW461.16 g/mol
LogP5.19
Rot. Bonds2

About (3R)-3-[2-amino-4-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one

(3R)-3-[2-amino-4-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one (PubChem CID 2473649) has the molecular formula C17H9Cl4N3O2S and a molecular weight of 461.16 g/mol. Its IUPAC name is (3R)-3-[2-amino-4-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-amino-4-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one
PubChem CID2473649
Molecular FormulaC17H9Cl4N3O2S
Molecular Weight461.16 g/mol
Exact Mass458.92
IUPAC Name(3R)-3-[2-amino-4-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one
SMILESNc1nc(-c2ccc(Cl)c(Cl)c2)c([C@]2(O)C(=O)Nc3c(Cl)cc(Cl)cc32)s1
InChIInChI=1S/C17H9Cl4N3O2S/c18-7-4-8-13(11(21)5-7)23-15(25)17(8,26)14-12(24-16(22)27-14)6-1-2-9(19)10(20)3-6/h1-5,26H,(H2,22,24)(H,23,25)/t17-/m0/s1
InChIKeyPZLWJCPJZUGROY-KRWDZBQOSA-N
XLogP5.19
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.16
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-amino-4-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3R)-3-[2-amino-4-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one (CID 2473649) is (3R)-3-[2-amino-4-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3R)-3-[2-amino-4-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3R)-3-[2-amino-4-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one is Nc1nc(-c2ccc(Cl)c(Cl)c2)c([C@]2(O)C(=O)Nc3c(Cl)cc(Cl)cc32)s1.
What is the InChIKey of (3R)-3-[2-amino-4-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one?
The InChIKey is PZLWJCPJZUGROY-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H9Cl4N3O2S/c18-7-4-8-13(11(21)5-7)23-15(25)17(8,26)14-12(24-16(22)27-14)6-1-2-9(19)10(20)3-6/h1-5,26H,(H2,22,24)(H,23,25)/t17-/m0/s1.
What are the key properties of (3R)-3-[2-amino-4-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one?
(3R)-3-[2-amino-4-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one has a molecular weight of 461.16 g/mol, XLogP of 5.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-amino-4-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 2473649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).