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

C11H9N3OS — CID 2608761

IUPAC5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
SMILESNc1nc(-c2ccc3c(c2)CC(=O)N3)cs1
InChIInChI=1S/C11H9N3OS/c12-11-14-9(5-16-11)6-1-2-8-7(3-6)4-10(15)13-8/h1-3,5H,4H2,(H2,12,14)(H,13,15)
InChIKeyYRPIIMJICPLJAO-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.89
Rot. Bonds1

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

5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one (PubChem CID 2608761) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
PubChem CID2608761
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
SMILESNc1nc(-c2ccc3c(c2)CC(=O)N3)cs1
InChIInChI=1S/C11H9N3OS/c12-11-14-9(5-16-11)6-1-2-8-7(3-6)4-10(15)13-8/h1-3,5H,4H2,(H2,12,14)(H,13,15)
InChIKeyYRPIIMJICPLJAO-UHFFFAOYSA-N
XLogP1.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one (CID 2608761) is 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one is Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1.
What is the InChIKey of 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is YRPIIMJICPLJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c12-11-14-9(5-16-11)6-1-2-8-7(3-6)4-10(15)13-8/h1-3,5H,4H2,(H2,12,14)(H,13,15).
What are the key properties of 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one?
5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 231.28 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 2608761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).