7'-methyl-1'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

C24H22N2O4S — CID 91148333

IUPAC7'-methyl-1'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESCc1cccc2c1N(Cc1csc(C(C)C)n1)C(=O)C21COc2cc3c(cc21)OCO3
InChIInChI=1S/C24H22N2O4S/c1-13(2)22-25-15(10-31-22)9-26-21-14(3)5-4-6-16(21)24(23(26)27)11-28-18-8-20-19(7-17(18)24)29-12-30-20/h4-8,10,13H,9,11-12H2,1-3H3
InChIKeyAILCOIGHKFDYGL-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.53
Rot. Bonds3

About 7'-methyl-1'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

7'-methyl-1'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (PubChem CID 91148333) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 7'-methyl-1'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.

Molecular Properties

Compound Name7'-methyl-1'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
PubChem CID91148333
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name7'-methyl-1'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESCc1cccc2c1N(Cc1csc(C(C)C)n1)C(=O)C21COc2cc3c(cc21)OCO3
InChIInChI=1S/C24H22N2O4S/c1-13(2)22-25-15(10-31-22)9-26-21-14(3)5-4-6-16(21)24(23(26)27)11-28-18-8-20-19(7-17(18)24)29-12-30-20/h4-8,10,13H,9,11-12H2,1-3H3
InChIKeyAILCOIGHKFDYGL-UHFFFAOYSA-N
XLogP4.53
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7'-methyl-1'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7'-methyl-1'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The IUPAC name of 7'-methyl-1'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (CID 91148333) is 7'-methyl-1'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.
What is the SMILES notation for 7'-methyl-1'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The canonical SMILES for 7'-methyl-1'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is Cc1cccc2c1N(Cc1csc(C(C)C)n1)C(=O)C21COc2cc3c(cc21)OCO3.
What is the InChIKey of 7'-methyl-1'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The InChIKey is AILCOIGHKFDYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-13(2)22-25-15(10-31-22)9-26-21-14(3)5-4-6-16(21)24(23(26)27)11-28-18-8-20-19(7-17(18)24)29-12-30-20/h4-8,10,13H,9,11-12H2,1-3H3.
What are the key properties of 7'-methyl-1'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
7'-methyl-1'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one has a molecular weight of 434.52 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-methyl-1'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is sourced from PubChem (CID 91148333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).