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

C14H13N3OS — CID 134787247

IUPAC1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-azetidine]-2-one
SMILESO=C1Nc2ccccc2C12CN(Cc1cncs1)C2
InChIInChI=1S/C14H13N3OS/c18-13-14(11-3-1-2-4-12(11)16-13)7-17(8-14)6-10-5-15-9-19-10/h1-5,9H,6-8H2,(H,16,18)
InChIKeyNIYGNNHTXVUTQO-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.85
Rot. Bonds2

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

1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-azetidine]-2-one (PubChem CID 134787247) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-azetidine]-2-one.

Molecular Properties

Compound Name1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-azetidine]-2-one
PubChem CID134787247
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-azetidine]-2-one
SMILESO=C1Nc2ccccc2C12CN(Cc1cncs1)C2
InChIInChI=1S/C14H13N3OS/c18-13-14(11-3-1-2-4-12(11)16-13)7-17(8-14)6-10-5-15-9-19-10/h1-5,9H,6-8H2,(H,16,18)
InChIKeyNIYGNNHTXVUTQO-UHFFFAOYSA-N
XLogP1.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.85
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'-azetidine]-2-one?
The IUPAC name of 1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-azetidine]-2-one (CID 134787247) is 1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-azetidine]-2-one.
What is the SMILES notation for 1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-azetidine]-2-one?
The canonical SMILES for 1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-azetidine]-2-one is O=C1Nc2ccccc2C12CN(Cc1cncs1)C2.
What is the InChIKey of 1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-azetidine]-2-one?
The InChIKey is NIYGNNHTXVUTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c18-13-14(11-3-1-2-4-12(11)16-13)7-17(8-14)6-10-5-15-9-19-10/h1-5,9H,6-8H2,(H,16,18).
What are the key properties of 1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-azetidine]-2-one?
1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-azetidine]-2-one has a molecular weight of 271.34 g/mol, XLogP of 1.85, 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'-azetidine]-2-one is sourced from PubChem (CID 134787247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).