1-(1,3-thiazol-2-yl)-3H-indol-2-one

C11H8N2OS — CID 14819388

IUPAC1-(1,3-thiazol-2-yl)-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1c1nccs1
InChIInChI=1S/C11H8N2OS/c14-10-7-8-3-1-2-4-9(8)13(10)11-12-5-6-15-11/h1-6H,7H2
InChIKeyCMQJUFSBUTYCBE-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.36
Rot. Bonds1

About 1-(1,3-thiazol-2-yl)-3H-indol-2-one

1-(1,3-thiazol-2-yl)-3H-indol-2-one (PubChem CID 14819388) has the molecular formula C11H8N2OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-3H-indol-2-one
PubChem CID14819388
Molecular FormulaC11H8N2OS
Molecular Weight216.27 g/mol
Exact Mass216.04
IUPAC Name1-(1,3-thiazol-2-yl)-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1c1nccs1
InChIInChI=1S/C11H8N2OS/c14-10-7-8-3-1-2-4-9(8)13(10)11-12-5-6-15-11/h1-6H,7H2
InChIKeyCMQJUFSBUTYCBE-UHFFFAOYSA-N
XLogP2.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-3H-indol-2-one?
The IUPAC name of 1-(1,3-thiazol-2-yl)-3H-indol-2-one (CID 14819388) is 1-(1,3-thiazol-2-yl)-3H-indol-2-one.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-3H-indol-2-one?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-3H-indol-2-one is O=C1Cc2ccccc2N1c1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-3H-indol-2-one?
The InChIKey is CMQJUFSBUTYCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c14-10-7-8-3-1-2-4-9(8)13(10)11-12-5-6-15-11/h1-6H,7H2.
What are the key properties of 1-(1,3-thiazol-2-yl)-3H-indol-2-one?
1-(1,3-thiazol-2-yl)-3H-indol-2-one has a molecular weight of 216.27 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-3H-indol-2-one is sourced from PubChem (CID 14819388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).