3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-chloroindol-2-one

C11H6ClN3O2S — CID 1203463

IUPAC3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-chloroindol-2-one
SMILESNc1nc(O)c(C2=c3cc(Cl)ccc3=NC2=O)s1
InChIInChI=1S/C11H6ClN3O2S/c12-4-1-2-6-5(3-4)7(9(16)14-6)8-10(17)15-11(13)18-8/h1-3,17H,(H2,13,15)
InChIKeyXZIDGPAZCQJIFT-UHFFFAOYSA-N
MW279.71 g/mol
LogP0.44
Rot. Bonds1

About 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-chloroindol-2-one

3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-chloroindol-2-one (PubChem CID 1203463) has the molecular formula C11H6ClN3O2S and a molecular weight of 279.71 g/mol. Its IUPAC name is 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-chloroindol-2-one.

Molecular Properties

Compound Name3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-chloroindol-2-one
PubChem CID1203463
Molecular FormulaC11H6ClN3O2S
Molecular Weight279.71 g/mol
Exact Mass278.99
IUPAC Name3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-chloroindol-2-one
SMILESNc1nc(O)c(C2=c3cc(Cl)ccc3=NC2=O)s1
InChIInChI=1S/C11H6ClN3O2S/c12-4-1-2-6-5(3-4)7(9(16)14-6)8-10(17)15-11(13)18-8/h1-3,17H,(H2,13,15)
InChIKeyXZIDGPAZCQJIFT-UHFFFAOYSA-N
XLogP0.44
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.71
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-chloroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-chloroindol-2-one?
The IUPAC name of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-chloroindol-2-one (CID 1203463) is 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-chloroindol-2-one.
What is the SMILES notation for 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-chloroindol-2-one?
The canonical SMILES for 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-chloroindol-2-one is Nc1nc(O)c(C2=c3cc(Cl)ccc3=NC2=O)s1.
What is the InChIKey of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-chloroindol-2-one?
The InChIKey is XZIDGPAZCQJIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O2S/c12-4-1-2-6-5(3-4)7(9(16)14-6)8-10(17)15-11(13)18-8/h1-3,17H,(H2,13,15).
What are the key properties of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-chloroindol-2-one?
3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-chloroindol-2-one has a molecular weight of 279.71 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-chloroindol-2-one is sourced from PubChem (CID 1203463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).