2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine

C13H9N5S — CID 169326471

IUPAC2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCc1cc(-c2nc3cccnc3s2)ccc1N=[N+]=[N-]
InChIInChI=1S/C13H9N5S/c1-8-7-9(4-5-10(8)17-18-14)12-16-11-3-2-6-15-13(11)19-12/h2-7H,1H3
InChIKeyNCMKJUKWWOFYEK-UHFFFAOYSA-N
MW267.32 g/mol
LogP4.61
Rot. Bonds2

About 2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine

2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 169326471) has the molecular formula C13H9N5S and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID169326471
Molecular FormulaC13H9N5S
Molecular Weight267.32 g/mol
Exact Mass267.06
IUPAC Name2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCc1cc(-c2nc3cccnc3s2)ccc1N=[N+]=[N-]
InChIInChI=1S/C13H9N5S/c1-8-7-9(4-5-10(8)17-18-14)12-16-11-3-2-6-15-13(11)19-12/h2-7H,1H3
InChIKeyNCMKJUKWWOFYEK-UHFFFAOYSA-N
XLogP4.61
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine (CID 169326471) is 2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine is Cc1cc(-c2nc3cccnc3s2)ccc1N=[N+]=[N-].
What is the InChIKey of 2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is NCMKJUKWWOFYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5S/c1-8-7-9(4-5-10(8)17-18-14)12-16-11-3-2-6-15-13(11)19-12/h2-7H,1H3.
What are the key properties of 2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine?
2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 267.32 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 169326471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).