3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluoro-N-formylbenzamide

C15H8ClF2N3O3S — CID 90153794

IUPAC3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluoro-N-formylbenzamide
SMILESO=CNC(=O)c1c(F)ccc(OCc2nc3cc(Cl)cnc3s2)c1F
InChIInChI=1S/C15H8ClF2N3O3S/c16-7-3-9-15(19-4-7)25-11(21-9)5-24-10-2-1-8(17)12(13(10)18)14(23)20-6-22/h1-4,6H,5H2,(H,20,22,23)
InChIKeyMUZRRQOHHZZYPX-UHFFFAOYSA-N
MW383.76 g/mol
LogP3.09
Rot. Bonds5

About 3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluoro-N-formylbenzamide

3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluoro-N-formylbenzamide (PubChem CID 90153794) has the molecular formula C15H8ClF2N3O3S and a molecular weight of 383.76 g/mol. Its IUPAC name is 3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluoro-N-formylbenzamide.

Molecular Properties

Compound Name3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluoro-N-formylbenzamide
PubChem CID90153794
Molecular FormulaC15H8ClF2N3O3S
Molecular Weight383.76 g/mol
Exact Mass382.99
IUPAC Name3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluoro-N-formylbenzamide
SMILESO=CNC(=O)c1c(F)ccc(OCc2nc3cc(Cl)cnc3s2)c1F
InChIInChI=1S/C15H8ClF2N3O3S/c16-7-3-9-15(19-4-7)25-11(21-9)5-24-10-2-1-8(17)12(13(10)18)14(23)20-6-22/h1-4,6H,5H2,(H,20,22,23)
InChIKeyMUZRRQOHHZZYPX-UHFFFAOYSA-N
XLogP3.09
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.76
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluoro-N-formylbenzamide?
The IUPAC name of 3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluoro-N-formylbenzamide (CID 90153794) is 3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluoro-N-formylbenzamide.
What is the SMILES notation for 3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluoro-N-formylbenzamide?
The canonical SMILES for 3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluoro-N-formylbenzamide is O=CNC(=O)c1c(F)ccc(OCc2nc3cc(Cl)cnc3s2)c1F.
What is the InChIKey of 3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluoro-N-formylbenzamide?
The InChIKey is MUZRRQOHHZZYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2N3O3S/c16-7-3-9-15(19-4-7)25-11(21-9)5-24-10-2-1-8(17)12(13(10)18)14(23)20-6-22/h1-4,6H,5H2,(H,20,22,23).
What are the key properties of 3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluoro-N-formylbenzamide?
3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluoro-N-formylbenzamide has a molecular weight of 383.76 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluoro-N-formylbenzamide is sourced from PubChem (CID 90153794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).