methoxy(spiro[5H-1,3-thiazole-4,9'-xanthene]-2-yl)carbamic acid

C17H14N2O4S — CID 151361828

IUPACmethoxy(spiro[5H-1,3-thiazole-4,9'-xanthene]-2-yl)carbamic acid
SMILESCON(C(=O)O)C1=NC2(CS1)c1ccccc1Oc1ccccc12
InChIInChI=1S/C17H14N2O4S/c1-22-19(16(20)21)15-18-17(10-24-15)11-6-2-4-8-13(11)23-14-9-5-3-7-12(14)17/h2-9H,10H2,1H3,(H,20,21)
InChIKeyOOPZOEYMWNEASM-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.68
Rot. Bonds1

About methoxy(spiro[5H-1,3-thiazole-4,9'-xanthene]-2-yl)carbamic acid

methoxy(spiro[5H-1,3-thiazole-4,9'-xanthene]-2-yl)carbamic acid (PubChem CID 151361828) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is methoxy(spiro[5H-1,3-thiazole-4,9'-xanthene]-2-yl)carbamic acid.

Molecular Properties

Compound Namemethoxy(spiro[5H-1,3-thiazole-4,9'-xanthene]-2-yl)carbamic acid
PubChem CID151361828
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Namemethoxy(spiro[5H-1,3-thiazole-4,9'-xanthene]-2-yl)carbamic acid
SMILESCON(C(=O)O)C1=NC2(CS1)c1ccccc1Oc1ccccc12
InChIInChI=1S/C17H14N2O4S/c1-22-19(16(20)21)15-18-17(10-24-15)11-6-2-4-8-13(11)23-14-9-5-3-7-12(14)17/h2-9H,10H2,1H3,(H,20,21)
InChIKeyOOPZOEYMWNEASM-UHFFFAOYSA-N
XLogP3.68
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy(spiro[5H-1,3-thiazole-4,9'-xanthene]-2-yl)carbamic acid?
The IUPAC name of methoxy(spiro[5H-1,3-thiazole-4,9'-xanthene]-2-yl)carbamic acid (CID 151361828) is methoxy(spiro[5H-1,3-thiazole-4,9'-xanthene]-2-yl)carbamic acid.
What is the SMILES notation for methoxy(spiro[5H-1,3-thiazole-4,9'-xanthene]-2-yl)carbamic acid?
The canonical SMILES for methoxy(spiro[5H-1,3-thiazole-4,9'-xanthene]-2-yl)carbamic acid is CON(C(=O)O)C1=NC2(CS1)c1ccccc1Oc1ccccc12.
What is the InChIKey of methoxy(spiro[5H-1,3-thiazole-4,9'-xanthene]-2-yl)carbamic acid?
The InChIKey is OOPZOEYMWNEASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-22-19(16(20)21)15-18-17(10-24-15)11-6-2-4-8-13(11)23-14-9-5-3-7-12(14)17/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of methoxy(spiro[5H-1,3-thiazole-4,9'-xanthene]-2-yl)carbamic acid?
methoxy(spiro[5H-1,3-thiazole-4,9'-xanthene]-2-yl)carbamic acid has a molecular weight of 342.38 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(spiro[5H-1,3-thiazole-4,9'-xanthene]-2-yl)carbamic acid is sourced from PubChem (CID 151361828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).