5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one

C15H12N2OS — CID 45275938

IUPAC5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one
SMILESCc1ccc2c(c1)C1(Nc3ccccc3S1)C(=O)N2
InChIInChI=1S/C15H12N2OS/c1-9-6-7-11-10(8-9)15(14(18)16-11)17-12-4-2-3-5-13(12)19-15/h2-8,17H,1H3,(H,16,18)
InChIKeyRAEVGSIUDBGGKA-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.32
Rot. Bonds

About 5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one

5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one (PubChem CID 45275938) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one.

Molecular Properties

Compound Name5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one
PubChem CID45275938
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one
SMILESCc1ccc2c(c1)C1(Nc3ccccc3S1)C(=O)N2
InChIInChI=1S/C15H12N2OS/c1-9-6-7-11-10(8-9)15(14(18)16-11)17-12-4-2-3-5-13(12)19-15/h2-8,17H,1H3,(H,16,18)
InChIKeyRAEVGSIUDBGGKA-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one?
The IUPAC name of 5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one (CID 45275938) is 5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one.
What is the SMILES notation for 5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one?
The canonical SMILES for 5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one is Cc1ccc2c(c1)C1(Nc3ccccc3S1)C(=O)N2.
What is the InChIKey of 5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one?
The InChIKey is RAEVGSIUDBGGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-9-6-7-11-10(8-9)15(14(18)16-11)17-12-4-2-3-5-13(12)19-15/h2-8,17H,1H3,(H,16,18).
What are the key properties of 5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one?
5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one has a molecular weight of 268.34 g/mol, XLogP of 3.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one is sourced from PubChem (CID 45275938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).