3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-imine

C11H8F2N2O2S — CID 15451836

IUPAC3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-imine
SMILES[H]/N=c1\sc(C)cn1-c1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C11H8F2N2O2S/c1-6-5-15(10(14)18-6)7-2-3-8-9(4-7)17-11(12,13)16-8/h2-5,14H,1H3/b14-10-
InChIKeyFJZYOKBFBWQTBO-UVTDQMKNSA-N
MW270.26 g/mol
LogP2.65
Rot. Bonds1

About 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-imine

3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-imine (PubChem CID 15451836) has the molecular formula C11H8F2N2O2S and a molecular weight of 270.26 g/mol. Its IUPAC name is 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-imine
PubChem CID15451836
Molecular FormulaC11H8F2N2O2S
Molecular Weight270.26 g/mol
Exact Mass270.03
IUPAC Name3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-imine
SMILES[H]/N=c1\sc(C)cn1-c1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C11H8F2N2O2S/c1-6-5-15(10(14)18-6)7-2-3-8-9(4-7)17-11(12,13)16-8/h2-5,14H,1H3/b14-10-
InChIKeyFJZYOKBFBWQTBO-UVTDQMKNSA-N
XLogP2.65
TPSA47.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-imine?
The IUPAC name of 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-imine (CID 15451836) is 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-imine is [H]/N=c1\sc(C)cn1-c1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-imine?
The InChIKey is FJZYOKBFBWQTBO-UVTDQMKNSA-N. The full InChI is InChI=1S/C11H8F2N2O2S/c1-6-5-15(10(14)18-6)7-2-3-8-9(4-7)17-11(12,13)16-8/h2-5,14H,1H3/b14-10-.
What are the key properties of 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-imine?
3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-imine has a molecular weight of 270.26 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 15451836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).