4'-chloro-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

C23H19ClN2O4S — CID 59352104

IUPAC4'-chloro-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
SMILESCC(C)c1nc(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3c(Cl)cccc32)cs1
InChIInChI=1S/C23H19ClN2O4S/c1-12(2)21-25-13(9-31-21)8-26-16-5-3-4-15(24)20(16)23(22(26)27)10-28-17-7-19-18(6-14(17)23)29-11-30-19/h3-7,9,12H,8,10-11H2,1-2H3
InChIKeyMEHQDQFGDUKOJO-UHFFFAOYSA-N
MW454.94 g/mol
LogP4.87
Rot. Bonds3

About 4'-chloro-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

4'-chloro-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 59352104) has the molecular formula C23H19ClN2O4S and a molecular weight of 454.94 g/mol. Its IUPAC name is 4'-chloro-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 Name4'-chloro-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 CID59352104
Molecular FormulaC23H19ClN2O4S
Molecular Weight454.94 g/mol
Exact Mass454.08
IUPAC Name4'-chloro-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
SMILESCC(C)c1nc(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3c(Cl)cccc32)cs1
InChIInChI=1S/C23H19ClN2O4S/c1-12(2)21-25-13(9-31-21)8-26-16-5-3-4-15(24)20(16)23(22(26)27)10-28-17-7-19-18(6-14(17)23)29-11-30-19/h3-7,9,12H,8,10-11H2,1-2H3
InChIKeyMEHQDQFGDUKOJO-UHFFFAOYSA-N
XLogP4.87
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4'-chloro-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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Related Compounds

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
4'-chloro-1'-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59352431
2-(4'-chloro-2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N'-hydroxyethanimidamide
CID 86641003
1'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263410
1'-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59352391
1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642072
1'-(thiophen-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263336
1'-[[5-(2-chlorophenyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263532
[[1-amino-2-(4'-chloro-2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethylidene]amino] cyclopropanecarboxylate
CID 75110103
1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 71036161
1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642329
4-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzoyl chloride
CID 87087377

Frequently Asked Questions

What is the IUPAC name of 4'-chloro-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 4'-chloro-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 59352104) is 4'-chloro-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 4'-chloro-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 4'-chloro-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 CC(C)c1nc(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3c(Cl)cccc32)cs1.
What is the InChIKey of 4'-chloro-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 MEHQDQFGDUKOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O4S/c1-12(2)21-25-13(9-31-21)8-26-16-5-3-4-15(24)20(16)23(22(26)27)10-28-17-7-19-18(6-14(17)23)29-11-30-19/h3-7,9,12H,8,10-11H2,1-2H3.
What are the key properties of 4'-chloro-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?
4'-chloro-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 454.94 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-chloro-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 59352104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).