1-[(2-methoxy-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]

C21H18N2O4S — CID 67359499

IUPAC1-[(2-methoxy-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
SMILESCOc1ncc(CN2CC3(COc4cc5c(cc43)OCO5)c3ccccc32)s1
InChIInChI=1S/C21H18N2O4S/c1-24-20-22-8-13(28-20)9-23-10-21(14-4-2-3-5-16(14)23)11-25-17-7-19-18(6-15(17)21)26-12-27-19/h2-8H,9-12H2,1H3
InChIKeyVKVOJMUGKDCBEG-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.58
Rot. Bonds3

About 1-[(2-methoxy-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]

1-[(2-methoxy-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] (PubChem CID 67359499) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-[(2-methoxy-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole].

Molecular Properties

Compound Name1-[(2-methoxy-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
PubChem CID67359499
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC Name1-[(2-methoxy-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
SMILESCOc1ncc(CN2CC3(COc4cc5c(cc43)OCO5)c3ccccc32)s1
InChIInChI=1S/C21H18N2O4S/c1-24-20-22-8-13(28-20)9-23-10-21(14-4-2-3-5-16(14)23)11-25-17-7-19-18(6-15(17)21)26-12-27-19/h2-8H,9-12H2,1H3
InChIKeyVKVOJMUGKDCBEG-UHFFFAOYSA-N
XLogP3.58
TPSA53.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The IUPAC name of 1-[(2-methoxy-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] (CID 67359499) is 1-[(2-methoxy-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole].
What is the SMILES notation for 1-[(2-methoxy-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The canonical SMILES for 1-[(2-methoxy-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] is COc1ncc(CN2CC3(COc4cc5c(cc43)OCO5)c3ccccc32)s1.
What is the InChIKey of 1-[(2-methoxy-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The InChIKey is VKVOJMUGKDCBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-24-20-22-8-13(28-20)9-23-10-21(14-4-2-3-5-16(14)23)11-25-17-7-19-18(6-15(17)21)26-12-27-19/h2-8H,9-12H2,1H3.
What are the key properties of 1-[(2-methoxy-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
1-[(2-methoxy-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] has a molecular weight of 394.45 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] is sourced from PubChem (CID 67359499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).