5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole

C9H7N5S — CID 126697357

IUPAC5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole
SMILES[N-]=[N+]=NCc1cnc(-c2ccccn2)s1
InChIInChI=1S/C9H7N5S/c10-14-13-6-7-5-12-9(15-7)8-3-1-2-4-11-8/h1-5H,6H2
InChIKeyAXKLNRPTMALUTB-UHFFFAOYSA-N
MW217.26 g/mol
LogP3.02
Rot. Bonds3

About 5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole

5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole (PubChem CID 126697357) has the molecular formula C9H7N5S and a molecular weight of 217.26 g/mol. Its IUPAC name is 5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole
PubChem CID126697357
Molecular FormulaC9H7N5S
Molecular Weight217.26 g/mol
Exact Mass217.04
IUPAC Name5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole
SMILES[N-]=[N+]=NCc1cnc(-c2ccccn2)s1
InChIInChI=1S/C9H7N5S/c10-14-13-6-7-5-12-9(15-7)8-3-1-2-4-11-8/h1-5H,6H2
InChIKeyAXKLNRPTMALUTB-UHFFFAOYSA-N
XLogP3.02
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 53.02
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'}

Analyze 5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one
CID 115091334
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 55070550
2-pyridin-2-yl-1,3-thiazole-5-carbonitrile
CID 82422608
2-[2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethoxy]ethanol
CID 111974588
[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;trihydrochloride
CID 66989375
(2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 97021393
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol
CID 111974591
chloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine
CID 159437389
potassium hydroxy-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanolate
CID 131132164
2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole
CID 101460116
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole (CID 126697357) is 5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole is [N-]=[N+]=NCc1cnc(-c2ccccn2)s1.
What is the InChIKey of 5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is AXKLNRPTMALUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5S/c10-14-13-6-7-5-12-9(15-7)8-3-1-2-4-11-8/h1-5H,6H2.
What are the key properties of 5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole?
5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 217.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 126697357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).