4-(azidomethyl)-3H-1,3-thiazol-2-one

C4H4N4OS — CID 75537492

IUPAC4-(azidomethyl)-3H-1,3-thiazol-2-one
SMILES[N-]=[N+]=NCc1csc(=O)[nH]1
InChIInChI=1S/C4H4N4OS/c5-8-6-1-3-2-10-4(9)7-3/h2H,1H2,(H,7,9)
InChIKeyGEASSJLPRNFLQQ-UHFFFAOYSA-N
MW156.17 g/mol
LogP1.25
Rot. Bonds2

About 4-(azidomethyl)-3H-1,3-thiazol-2-one

4-(azidomethyl)-3H-1,3-thiazol-2-one (PubChem CID 75537492) has the molecular formula C4H4N4OS and a molecular weight of 156.17 g/mol. Its IUPAC name is 4-(azidomethyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-3H-1,3-thiazol-2-one
PubChem CID75537492
Molecular FormulaC4H4N4OS
Molecular Weight156.17 g/mol
Exact Mass156.01
IUPAC Name4-(azidomethyl)-3H-1,3-thiazol-2-one
SMILES[N-]=[N+]=NCc1csc(=O)[nH]1
InChIInChI=1S/C4H4N4OS/c5-8-6-1-3-2-10-4(9)7-3/h2H,1H2,(H,7,9)
InChIKeyGEASSJLPRNFLQQ-UHFFFAOYSA-N
XLogP1.25
TPSA81.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 51.25
H-Bond Donors ≤ 51
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 4-(azidomethyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(azidomethyl)-3H-1,3-thiazol-2-one (CID 75537492) is 4-(azidomethyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(azidomethyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(azidomethyl)-3H-1,3-thiazol-2-one is [N-]=[N+]=NCc1csc(=O)[nH]1.
What is the InChIKey of 4-(azidomethyl)-3H-1,3-thiazol-2-one?
The InChIKey is GEASSJLPRNFLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4OS/c5-8-6-1-3-2-10-4(9)7-3/h2H,1H2,(H,7,9).
What are the key properties of 4-(azidomethyl)-3H-1,3-thiazol-2-one?
4-(azidomethyl)-3H-1,3-thiazol-2-one has a molecular weight of 156.17 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 75537492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).