10'-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine]

C28H24N2O3S — CID 25224788

IUPAC10'-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine]
SMILESCC(C)c1ncc(CN2c3ccccc3C3(COc4cc5c(cc43)OCO5)c3ccccc32)s1
InChIInChI=1S/C28H24N2O3S/c1-17(2)27-29-13-18(34-27)14-30-22-9-5-3-7-19(22)28(20-8-4-6-10-23(20)30)15-31-24-12-26-25(11-21(24)28)32-16-33-26/h3-13,17H,14-16H2,1-2H3
InChIKeyHZMNXULJJNCRDM-UHFFFAOYSA-N
MW468.58 g/mol
LogP6.37
Rot. Bonds3

About 10'-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine]

10'-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine] (PubChem CID 25224788) has the molecular formula C28H24N2O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is 10'-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine].

Molecular Properties

Compound Name10'-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine]
PubChem CID25224788
Molecular FormulaC28H24N2O3S
Molecular Weight468.58 g/mol
Exact Mass468.15
IUPAC Name10'-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine]
SMILESCC(C)c1ncc(CN2c3ccccc3C3(COc4cc5c(cc43)OCO5)c3ccccc32)s1
InChIInChI=1S/C28H24N2O3S/c1-17(2)27-29-13-18(34-27)14-30-22-9-5-3-7-19(22)28(20-8-4-6-10-23(20)30)15-31-24-12-26-25(11-21(24)28)32-16-33-26/h3-13,17H,14-16H2,1-2H3
InChIKeyHZMNXULJJNCRDM-UHFFFAOYSA-N
XLogP6.37
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10'-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10'-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine]?
The IUPAC name of 10'-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine] (CID 25224788) is 10'-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine].
What is the SMILES notation for 10'-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine]?
The canonical SMILES for 10'-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine] is CC(C)c1ncc(CN2c3ccccc3C3(COc4cc5c(cc43)OCO5)c3ccccc32)s1.
What is the InChIKey of 10'-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine]?
The InChIKey is HZMNXULJJNCRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3S/c1-17(2)27-29-13-18(34-27)14-30-22-9-5-3-7-19(22)28(20-8-4-6-10-23(20)30)15-31-24-12-26-25(11-21(24)28)32-16-33-26/h3-13,17H,14-16H2,1-2H3.
What are the key properties of 10'-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine]?
10'-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine] has a molecular weight of 468.58 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,9'-acridine] is sourced from PubChem (CID 25224788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).