3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide

C16H9F2N3O2S — CID 167312464

IUPAC3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide
SMILESC#Cc1cnc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1
InChIInChI=1S/C16H9F2N3O2S/c1-2-8-5-10-16(20-6-8)24-12(21-10)7-23-11-4-3-9(17)13(14(11)18)15(19)22/h1,3-6H,7H2,(H2,19,22)
InChIKeySCUOMBYZGFZRIF-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.63
Rot. Bonds4

About 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide

3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide (PubChem CID 167312464) has the molecular formula C16H9F2N3O2S and a molecular weight of 345.33 g/mol. Its IUPAC name is 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide
PubChem CID167312464
Molecular FormulaC16H9F2N3O2S
Molecular Weight345.33 g/mol
Exact Mass345.04
IUPAC Name3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide
SMILESC#Cc1cnc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1
InChIInChI=1S/C16H9F2N3O2S/c1-2-8-5-10-16(20-6-8)24-12(21-10)7-23-11-4-3-9(17)13(14(11)18)15(19)22/h1,3-6H,7H2,(H2,19,22)
InChIKeySCUOMBYZGFZRIF-UHFFFAOYSA-N
XLogP2.63
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

PC-190723
CID 25016417
Txa709
CID 75203933
Txa707
CID 90135655
7-(4-Fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155515940
2,6-Difluoro-3-[(6-methyl-1,3-benzothiazol-2-yl)methoxy]benzenecarboxamide
CID 46237268
2,6-Difluoro-3-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]benzenecarboxamide
CID 46237271
US10174016, Example 32
CID 134463447
4-Butoxy-N-(3-{[1,3]thiazolo[5,4-B]pyridin-2-YL}phenyl)benzamide
CID 5167171
2-[(3-Carbamoyl-2,4-difluorophenoxy)methyl]-1,3-benzothiazole-5-carboxamide
CID 46236761
3-[(6-Ethoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide
CID 46236765
2,6-Difluoro-3-[(6-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide
CID 46236766
3-(1,3-Benzothiazol-2-ylmethoxy)-2,6-difluorobenzamide
CID 46236896

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide (CID 167312464) is 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide is C#Cc1cnc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1.
What is the InChIKey of 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide?
The InChIKey is SCUOMBYZGFZRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N3O2S/c1-2-8-5-10-16(20-6-8)24-12(21-10)7-23-11-4-3-9(17)13(14(11)18)15(19)22/h1,3-6H,7H2,(H2,19,22).
What are the key properties of 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide?
3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide has a molecular weight of 345.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 167312464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).