1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C15H15N3OS — CID 134789644

IUPAC1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2C12CCN(Cc1cncs1)C2
InChIInChI=1S/C15H15N3OS/c19-14-15(12-3-1-2-4-13(12)17-14)5-6-18(9-15)8-11-7-16-10-20-11/h1-4,7,10H,5-6,8-9H2,(H,17,19)
InChIKeySEPUZGAXBLRXIH-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.24
Rot. Bonds2

About 1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 134789644) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID134789644
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2C12CCN(Cc1cncs1)C2
InChIInChI=1S/C15H15N3OS/c19-14-15(12-3-1-2-4-13(12)17-14)5-6-18(9-15)8-11-7-16-10-20-11/h1-4,7,10H,5-6,8-9H2,(H,17,19)
InChIKeySEPUZGAXBLRXIH-UHFFFAOYSA-N
XLogP2.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 134789644) is 1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C1Nc2ccccc2C12CCN(Cc1cncs1)C2.
What is the InChIKey of 1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is SEPUZGAXBLRXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c19-14-15(12-3-1-2-4-13(12)17-14)5-6-18(9-15)8-11-7-16-10-20-11/h1-4,7,10H,5-6,8-9H2,(H,17,19).
What are the key properties of 1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 285.37 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134789644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).