1'-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine

C16H14N2O2S — CID 67387431

IUPAC1'-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
SMILESCOc1cccc2c1C1(CSC(N)=N1)c1ccccc1O2
InChIInChI=1S/C16H14N2O2S/c1-19-12-7-4-8-13-14(12)16(9-21-15(17)18-16)10-5-2-3-6-11(10)20-13/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyFRDMUEGODUHKCZ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.11
Rot. Bonds1

About 1'-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine

1'-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine (PubChem CID 67387431) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 1'-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name1'-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
PubChem CID67387431
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name1'-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
SMILESCOc1cccc2c1C1(CSC(N)=N1)c1ccccc1O2
InChIInChI=1S/C16H14N2O2S/c1-19-12-7-4-8-13-14(12)16(9-21-15(17)18-16)10-5-2-3-6-11(10)20-13/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyFRDMUEGODUHKCZ-UHFFFAOYSA-N
XLogP3.11
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
The IUPAC name of 1'-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine (CID 67387431) is 1'-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for 1'-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
The canonical SMILES for 1'-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine is COc1cccc2c1C1(CSC(N)=N1)c1ccccc1O2.
What is the InChIKey of 1'-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
The InChIKey is FRDMUEGODUHKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-19-12-7-4-8-13-14(12)16(9-21-15(17)18-16)10-5-2-3-6-11(10)20-13/h2-8H,9H2,1H3,(H2,17,18).
What are the key properties of 1'-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
1'-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine has a molecular weight of 298.37 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 67387431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).