1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one

C12H12N2O2S2 — CID 11425998

IUPAC1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one
SMILESCON1C(=O)C2(CN=C(SC)S2)c2ccccc21
InChIInChI=1S/C12H12N2O2S2/c1-16-14-9-6-4-3-5-8(9)12(10(14)15)7-13-11(17-2)18-12/h3-6H,7H2,1-2H3
InChIKeyHXTLALYTXJCGLD-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.26
Rot. Bonds1

About 1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one

1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one (PubChem CID 11425998) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one
PubChem CID11425998
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one
SMILESCON1C(=O)C2(CN=C(SC)S2)c2ccccc21
InChIInChI=1S/C12H12N2O2S2/c1-16-14-9-6-4-3-5-8(9)12(10(14)15)7-13-11(17-2)18-12/h3-6H,7H2,1-2H3
InChIKeyHXTLALYTXJCGLD-UHFFFAOYSA-N
XLogP2.26
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one?
The IUPAC name of 1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one (CID 11425998) is 1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one.
What is the SMILES notation for 1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one?
The canonical SMILES for 1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one is CON1C(=O)C2(CN=C(SC)S2)c2ccccc21.
What is the InChIKey of 1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one?
The InChIKey is HXTLALYTXJCGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-16-14-9-6-4-3-5-8(9)12(10(14)15)7-13-11(17-2)18-12/h3-6H,7H2,1-2H3.
What are the key properties of 1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one?
1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one has a molecular weight of 280.37 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,3'-indole]-2'-one is sourced from PubChem (CID 11425998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).