2-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]

C17H15NO2S — CID 123233296

IUPAC2-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]
SMILESCOCC1=NC2(CS1)c1ccccc1Oc1ccccc12
InChIInChI=1S/C17H15NO2S/c1-19-10-16-18-17(11-21-16)12-6-2-4-8-14(12)20-15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3
InChIKeyZITYHVPPTHJIMF-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.83
Rot. Bonds2

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

2-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene] (PubChem CID 123233296) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene].

Molecular Properties

Compound Name2-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]
PubChem CID123233296
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name2-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]
SMILESCOCC1=NC2(CS1)c1ccccc1Oc1ccccc12
InChIInChI=1S/C17H15NO2S/c1-19-10-16-18-17(11-21-16)12-6-2-4-8-14(12)20-15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3
InChIKeyZITYHVPPTHJIMF-UHFFFAOYSA-N
XLogP3.83
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]?
The IUPAC name of 2-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene] (CID 123233296) is 2-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene].
What is the SMILES notation for 2-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]?
The canonical SMILES for 2-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene] is COCC1=NC2(CS1)c1ccccc1Oc1ccccc12.
What is the InChIKey of 2-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]?
The InChIKey is ZITYHVPPTHJIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-19-10-16-18-17(11-21-16)12-6-2-4-8-14(12)20-15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3.
What are the key properties of 2-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]?
2-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene] has a molecular weight of 297.38 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene] is sourced from PubChem (CID 123233296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).