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

C24H21F3N2O3S — CID 151322190

IUPAC1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-7-(trifluoromethyl)spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
SMILESCC(C)c1ncc(CN2CC3(COc4cc5c(cc43)OCO5)c3cccc(C(F)(F)F)c32)s1
InChIInChI=1S/C24H21F3N2O3S/c1-13(2)22-28-8-14(33-22)9-29-10-23(15-4-3-5-16(21(15)29)24(25,26)27)11-30-18-7-20-19(6-17(18)23)31-12-32-20/h3-8,13H,9-12H2,1-2H3
InChIKeyOGRSYUSQSYPGCY-UHFFFAOYSA-N
MW474.50 g/mol
LogP5.71
Rot. Bonds3

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

1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-7-(trifluoromethyl)spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] (PubChem CID 151322190) has the molecular formula C24H21F3N2O3S and a molecular weight of 474.50 g/mol. Its IUPAC name is 1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-7-(trifluoromethyl)spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole].

Molecular Properties

Compound Name1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-7-(trifluoromethyl)spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
PubChem CID151322190
Molecular FormulaC24H21F3N2O3S
Molecular Weight474.50 g/mol
Exact Mass474.12
IUPAC Name1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-7-(trifluoromethyl)spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
SMILESCC(C)c1ncc(CN2CC3(COc4cc5c(cc43)OCO5)c3cccc(C(F)(F)F)c32)s1
InChIInChI=1S/C24H21F3N2O3S/c1-13(2)22-28-8-14(33-22)9-29-10-23(15-4-3-5-16(21(15)29)24(25,26)27)11-30-18-7-20-19(6-17(18)23)31-12-32-20/h3-8,13H,9-12H2,1-2H3
InChIKeyOGRSYUSQSYPGCY-UHFFFAOYSA-N
XLogP5.71
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.50
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-7-(trifluoromethyl)spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-7-(trifluoromethyl)spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The IUPAC name of 1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-7-(trifluoromethyl)spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] (CID 151322190) is 1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-7-(trifluoromethyl)spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole].
What is the SMILES notation for 1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-7-(trifluoromethyl)spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The canonical SMILES for 1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-7-(trifluoromethyl)spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] is CC(C)c1ncc(CN2CC3(COc4cc5c(cc43)OCO5)c3cccc(C(F)(F)F)c32)s1.
What is the InChIKey of 1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-7-(trifluoromethyl)spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The InChIKey is OGRSYUSQSYPGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O3S/c1-13(2)22-28-8-14(33-22)9-29-10-23(15-4-3-5-16(21(15)29)24(25,26)27)11-30-18-7-20-19(6-17(18)23)31-12-32-20/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-7-(trifluoromethyl)spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-7-(trifluoromethyl)spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] has a molecular weight of 474.50 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-7-(trifluoromethyl)spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] is sourced from PubChem (CID 151322190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).