3-azido-5-(azidomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)benzamide

C15H14N8O2S — CID 167754276

IUPAC3-azido-5-(azidomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)benzamide
SMILES[N-]=[N+]=NCc1cc(N=[N+]=[N-])cc(C(=O)NCc2nc3c(s2)COCC3)c1
InChIInChI=1S/C15H14N8O2S/c16-22-19-6-9-3-10(5-11(4-9)21-23-17)15(24)18-7-14-20-12-1-2-25-8-13(12)26-14/h3-5H,1-2,6-8H2,(H,18,24)
InChIKeyHSOWKSNBUXJUNJ-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.90
Rot. Bonds6

About 3-azido-5-(azidomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)benzamide

3-azido-5-(azidomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)benzamide (PubChem CID 167754276) has the molecular formula C15H14N8O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is 3-azido-5-(azidomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-azido-5-(azidomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)benzamide
PubChem CID167754276
Molecular FormulaC15H14N8O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name3-azido-5-(azidomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)benzamide
SMILES[N-]=[N+]=NCc1cc(N=[N+]=[N-])cc(C(=O)NCc2nc3c(s2)COCC3)c1
InChIInChI=1S/C15H14N8O2S/c16-22-19-6-9-3-10(5-11(4-9)21-23-17)15(24)18-7-14-20-12-1-2-25-8-13(12)26-14/h3-5H,1-2,6-8H2,(H,18,24)
InChIKeyHSOWKSNBUXJUNJ-UHFFFAOYSA-N
XLogP3.90
TPSA148.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 3-azido-5-(azidomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)benzamide?
The IUPAC name of 3-azido-5-(azidomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)benzamide (CID 167754276) is 3-azido-5-(azidomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 3-azido-5-(azidomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 3-azido-5-(azidomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)benzamide is [N-]=[N+]=NCc1cc(N=[N+]=[N-])cc(C(=O)NCc2nc3c(s2)COCC3)c1.
What is the InChIKey of 3-azido-5-(azidomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)benzamide?
The InChIKey is HSOWKSNBUXJUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8O2S/c16-22-19-6-9-3-10(5-11(4-9)21-23-17)15(24)18-7-14-20-12-1-2-25-8-13(12)26-14/h3-5H,1-2,6-8H2,(H,18,24).
What are the key properties of 3-azido-5-(azidomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)benzamide?
3-azido-5-(azidomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)benzamide has a molecular weight of 370.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-5-(azidomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 167754276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).