2,6-difluoro-3-[[6-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide

C19H14F2N4O2S — CID 59402799

IUPAC2,6-difluoro-3-[[6-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide
SMILESCn1cccc1-c1cnc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1
InChIInChI=1S/C19H14F2N4O2S/c1-25-6-2-3-13(25)10-7-12-19(23-8-10)28-15(24-12)9-27-14-5-4-11(20)16(17(14)21)18(22)26/h2-8H,9H2,1H3,(H2,22,26)
InChIKeyYFZJGXTWBBMEBR-UHFFFAOYSA-N
MW400.41 g/mol
LogP3.65
Rot. Bonds5

About 2,6-difluoro-3-[[6-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide

2,6-difluoro-3-[[6-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide (PubChem CID 59402799) has the molecular formula C19H14F2N4O2S and a molecular weight of 400.41 g/mol. Its IUPAC name is 2,6-difluoro-3-[[6-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[[6-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide
PubChem CID59402799
Molecular FormulaC19H14F2N4O2S
Molecular Weight400.41 g/mol
Exact Mass400.08
IUPAC Name2,6-difluoro-3-[[6-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide
SMILESCn1cccc1-c1cnc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1
InChIInChI=1S/C19H14F2N4O2S/c1-25-6-2-3-13(25)10-7-12-19(23-8-10)28-15(24-12)9-27-14-5-4-11(20)16(17(14)21)18(22)26/h2-8H,9H2,1H3,(H2,22,26)
InChIKeyYFZJGXTWBBMEBR-UHFFFAOYSA-N
XLogP3.65
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[[6-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[[6-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide (CID 59402799) is 2,6-difluoro-3-[[6-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[[6-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[[6-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide is Cn1cccc1-c1cnc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1.
What is the InChIKey of 2,6-difluoro-3-[[6-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide?
The InChIKey is YFZJGXTWBBMEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2S/c1-25-6-2-3-13(25)10-7-12-19(23-8-10)28-15(24-12)9-27-14-5-4-11(20)16(17(14)21)18(22)26/h2-8H,9H2,1H3,(H2,22,26).
What are the key properties of 2,6-difluoro-3-[[6-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide?
2,6-difluoro-3-[[6-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide has a molecular weight of 400.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[[6-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide is sourced from PubChem (CID 59402799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).