N-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]formamide

C13H9N3OS — CID 143408522

IUPACN-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]formamide
SMILESO=CNc1cccc(-c2nc3ncccc3s2)c1
InChIInChI=1S/C13H9N3OS/c17-8-15-10-4-1-3-9(7-10)13-16-12-11(18-13)5-2-6-14-12/h1-8H,(H,15,17)
InChIKeySIAGWNHPIRNXLX-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.93
Rot. Bonds3

About N-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]formamide

N-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]formamide (PubChem CID 143408522) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is N-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]formamide
PubChem CID143408522
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC NameN-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]formamide
SMILESO=CNc1cccc(-c2nc3ncccc3s2)c1
InChIInChI=1S/C13H9N3OS/c17-8-15-10-4-1-3-9(7-10)13-16-12-11(18-13)5-2-6-14-12/h1-8H,(H,15,17)
InChIKeySIAGWNHPIRNXLX-UHFFFAOYSA-N
XLogP2.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]formamide?
The IUPAC name of N-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]formamide (CID 143408522) is N-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]formamide.
What is the SMILES notation for N-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]formamide?
The canonical SMILES for N-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]formamide is O=CNc1cccc(-c2nc3ncccc3s2)c1.
What is the InChIKey of N-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]formamide?
The InChIKey is SIAGWNHPIRNXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS/c17-8-15-10-4-1-3-9(7-10)13-16-12-11(18-13)5-2-6-14-12/h1-8H,(H,15,17).
What are the key properties of N-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]formamide?
N-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]formamide has a molecular weight of 255.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]formamide is sourced from PubChem (CID 143408522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).