2-(azidomethyl)-1,3-thiazole

C4H4N4S — CID 21218583

IUPAC2-(azidomethyl)-1,3-thiazole
SMILES[N-]=[N+]=NCc1nccs1
InChIInChI=1S/C4H4N4S/c5-8-7-3-4-6-1-2-9-4/h1-2H,3H2
InChIKeyPZFOOCWPEJDVQI-UHFFFAOYSA-N
MW140.17 g/mol
LogP1.95
Rot. Bonds2

About 2-(azidomethyl)-1,3-thiazole

2-(azidomethyl)-1,3-thiazole (PubChem CID 21218583) has the molecular formula C4H4N4S and a molecular weight of 140.17 g/mol. Its IUPAC name is 2-(azidomethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(azidomethyl)-1,3-thiazole
PubChem CID21218583
Molecular FormulaC4H4N4S
Molecular Weight140.17 g/mol
Exact Mass140.02
IUPAC Name2-(azidomethyl)-1,3-thiazole
SMILES[N-]=[N+]=NCc1nccs1
InChIInChI=1S/C4H4N4S/c5-8-7-3-4-6-1-2-9-4/h1-2H,3H2
InChIKeyPZFOOCWPEJDVQI-UHFFFAOYSA-N
XLogP1.95
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.17
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(azidomethyl)-1,3-thiazole?
The IUPAC name of 2-(azidomethyl)-1,3-thiazole (CID 21218583) is 2-(azidomethyl)-1,3-thiazole.
What is the SMILES notation for 2-(azidomethyl)-1,3-thiazole?
The canonical SMILES for 2-(azidomethyl)-1,3-thiazole is [N-]=[N+]=NCc1nccs1.
What is the InChIKey of 2-(azidomethyl)-1,3-thiazole?
The InChIKey is PZFOOCWPEJDVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4S/c5-8-7-3-4-6-1-2-9-4/h1-2H,3H2.
What are the key properties of 2-(azidomethyl)-1,3-thiazole?
2-(azidomethyl)-1,3-thiazole has a molecular weight of 140.17 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-1,3-thiazole is sourced from PubChem (CID 21218583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).