1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2',2'-dioxide

C19H12F3N3O6S — CID 69164791

IUPAC1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2',2'-dioxide
SMILESO=S1(=O)N(Cc2ccc(C(F)(F)F)o2)c2ncccc2C12COc1cc3c(nc12)OCO3
InChIInChI=1S/C19H12F3N3O6S/c20-19(21,22)14-4-3-10(31-14)7-25-16-11(2-1-5-23-16)18(32(25,26)27)8-28-12-6-13-17(24-15(12)18)30-9-29-13/h1-6H,7-9H2
InChIKeyDYOUKVHTLLYUBJ-UHFFFAOYSA-N
MW467.38 g/mol
LogP2.80
Rot. Bonds2

About 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2',2'-dioxide

1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2',2'-dioxide (PubChem CID 69164791) has the molecular formula C19H12F3N3O6S and a molecular weight of 467.38 g/mol. Its IUPAC name is 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2',2'-dioxide.

Molecular Properties

Compound Name1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2',2'-dioxide
PubChem CID69164791
Molecular FormulaC19H12F3N3O6S
Molecular Weight467.38 g/mol
Exact Mass467.04
IUPAC Name1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2',2'-dioxide
SMILESO=S1(=O)N(Cc2ccc(C(F)(F)F)o2)c2ncccc2C12COc1cc3c(nc12)OCO3
InChIInChI=1S/C19H12F3N3O6S/c20-19(21,22)14-4-3-10(31-14)7-25-16-11(2-1-5-23-16)18(32(25,26)27)8-28-12-6-13-17(24-15(12)18)30-9-29-13/h1-6H,7-9H2
InChIKeyDYOUKVHTLLYUBJ-UHFFFAOYSA-N
XLogP2.80
TPSA103.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2',2'-dioxide with MolForge

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Related Compounds

1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2'-oxide
CID 91150622
1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-[1,2]thiazolo[4,3-b]pyridine] 2'-oxide
CID 91303354
3-hydroxy-3-(6-hydroxy-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one
CID 68710369
5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine]
CID 69164576
1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 51357549
7'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,5'-pyrrolo[2,3-d]pyrimidine]-6'-thione
CID 87718842
4'-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263526
6-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2,3-dihydro-[1,4]dioxino[2,3-f]indole-8,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-7-one
CID 59352361
3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one
CID 123841269
1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one
CID 46195425
(3S)-3-(6-phenylmethoxy-1,3-benzodioxol-5-yl)-3-(phenylmethoxymethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one
CID 86699455
[1,3]dioxolo[4,5-b]pyridine
CID 12563079

Frequently Asked Questions

What is the IUPAC name of 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2',2'-dioxide?
The IUPAC name of 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2',2'-dioxide (CID 69164791) is 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2',2'-dioxide.
What is the SMILES notation for 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2',2'-dioxide?
The canonical SMILES for 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2',2'-dioxide is O=S1(=O)N(Cc2ccc(C(F)(F)F)o2)c2ncccc2C12COc1cc3c(nc12)OCO3.
What is the InChIKey of 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2',2'-dioxide?
The InChIKey is DYOUKVHTLLYUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O6S/c20-19(21,22)14-4-3-10(31-14)7-25-16-11(2-1-5-23-16)18(32(25,26)27)8-28-12-6-13-17(24-15(12)18)30-9-29-13/h1-6H,7-9H2.
What are the key properties of 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2',2'-dioxide?
1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2',2'-dioxide has a molecular weight of 467.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[4,6,10-trioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-12,3'-[1,2]thiazolo[3,4-b]pyridine] 2',2'-dioxide is sourced from PubChem (CID 69164791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).