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

C15H12N2OS — CID 91475890

IUPACspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
SMILESNC1=NC2(CS1)c1ccccc1Oc1ccccc12
InChIInChI=1S/C15H12N2OS/c16-14-17-15(9-19-14)10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)15/h1-8H,9H2,(H2,16,17)
InChIKeyHGXZZPXUFOPAJF-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.10
Rot. Bonds

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

spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine (PubChem CID 91475890) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Namespiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
PubChem CID91475890
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Namespiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
SMILESNC1=NC2(CS1)c1ccccc1Oc1ccccc12
InChIInChI=1S/C15H12N2OS/c16-14-17-15(9-19-14)10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)15/h1-8H,9H2,(H2,16,17)
InChIKeyHGXZZPXUFOPAJF-UHFFFAOYSA-N
XLogP3.10
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
The IUPAC name of spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine (CID 91475890) is spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
The canonical SMILES for spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine is NC1=NC2(CS1)c1ccccc1Oc1ccccc12.
What is the InChIKey of spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
The InChIKey is HGXZZPXUFOPAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c16-14-17-15(9-19-14)10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)15/h1-8H,9H2,(H2,16,17).
What are the key properties of spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine has a molecular weight of 268.34 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 91475890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).