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

C12H9Cl2N3O2S — CID 2387125

IUPAC(3R)-3-(2-amino-4-methyl-1,3-thiazol-5-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one
SMILESCc1nc(N)sc1[C@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C12H9Cl2N3O2S/c1-4-9(20-11(15)16-4)12(19)6-2-5(13)3-7(14)8(6)17-10(12)18/h2-3,19H,1H3,(H2,15,16)(H,17,18)/t12-/m0/s1
InChIKeyPQYXPCFJZRSXIJ-LBPRGKRZSA-N
MW330.20 g/mol
LogP2.53
Rot. Bonds1

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

(3R)-3-(2-amino-4-methyl-1,3-thiazol-5-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one (PubChem CID 2387125) has the molecular formula C12H9Cl2N3O2S and a molecular weight of 330.20 g/mol. Its IUPAC name is (3R)-3-(2-amino-4-methyl-1,3-thiazol-5-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-(2-amino-4-methyl-1,3-thiazol-5-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one
PubChem CID2387125
Molecular FormulaC12H9Cl2N3O2S
Molecular Weight330.20 g/mol
Exact Mass328.98
IUPAC Name(3R)-3-(2-amino-4-methyl-1,3-thiazol-5-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one
SMILESCc1nc(N)sc1[C@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C12H9Cl2N3O2S/c1-4-9(20-11(15)16-4)12(19)6-2-5(13)3-7(14)8(6)17-10(12)18/h2-3,19H,1H3,(H2,15,16)(H,17,18)/t12-/m0/s1
InChIKeyPQYXPCFJZRSXIJ-LBPRGKRZSA-N
XLogP2.53
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 52.53
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-methyl-1,3-thiazol-5-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3R)-3-(2-amino-4-methyl-1,3-thiazol-5-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one (CID 2387125) is (3R)-3-(2-amino-4-methyl-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-methyl-1,3-thiazol-5-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3R)-3-(2-amino-4-methyl-1,3-thiazol-5-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one is Cc1nc(N)sc1[C@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21.
What is the InChIKey of (3R)-3-(2-amino-4-methyl-1,3-thiazol-5-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one?
The InChIKey is PQYXPCFJZRSXIJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2S/c1-4-9(20-11(15)16-4)12(19)6-2-5(13)3-7(14)8(6)17-10(12)18/h2-3,19H,1H3,(H2,15,16)(H,17,18)/t12-/m0/s1.
What are the key properties of (3R)-3-(2-amino-4-methyl-1,3-thiazol-5-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one?
(3R)-3-(2-amino-4-methyl-1,3-thiazol-5-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one has a molecular weight of 330.20 g/mol, XLogP of 2.53, 1 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-methyl-1,3-thiazol-5-yl)-5,7-dichloro-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 2387125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).