3-azido-N-[4-(azidomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-2-hydrazinylpropanamide

C12H13N11OS — CID 118944651

IUPAC3-azido-N-[4-(azidomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-2-hydrazinylpropanamide
SMILES[N-]=[N+]=NCc1nc(-c2cccnc2)sc1NC(=O)C(CN=[N+]=[N-])NN
InChIInChI=1S/C12H13N11OS/c13-21-8(5-17-22-14)10(24)20-12-9(6-18-23-15)19-11(25-12)7-2-1-3-16-4-7/h1-4,8,21H,5-6,13H2,(H,20,24)
InChIKeyCFZKXMKOAVWNIS-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.10
Rot. Bonds8

About 3-azido-N-[4-(azidomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-2-hydrazinylpropanamide

3-azido-N-[4-(azidomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-2-hydrazinylpropanamide (PubChem CID 118944651) has the molecular formula C12H13N11OS and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-azido-N-[4-(azidomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-2-hydrazinylpropanamide.

Molecular Properties

Compound Name3-azido-N-[4-(azidomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-2-hydrazinylpropanamide
PubChem CID118944651
Molecular FormulaC12H13N11OS
Molecular Weight359.38 g/mol
Exact Mass359.10
IUPAC Name3-azido-N-[4-(azidomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-2-hydrazinylpropanamide
SMILES[N-]=[N+]=NCc1nc(-c2cccnc2)sc1NC(=O)C(CN=[N+]=[N-])NN
InChIInChI=1S/C12H13N11OS/c13-21-8(5-17-22-14)10(24)20-12-9(6-18-23-15)19-11(25-12)7-2-1-3-16-4-7/h1-4,8,21H,5-6,13H2,(H,20,24)
InChIKeyCFZKXMKOAVWNIS-UHFFFAOYSA-N
XLogP2.10
TPSA190.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azido-N-[4-(azidomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-2-hydrazinylpropanamide?
The IUPAC name of 3-azido-N-[4-(azidomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-2-hydrazinylpropanamide (CID 118944651) is 3-azido-N-[4-(azidomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-2-hydrazinylpropanamide.
What is the SMILES notation for 3-azido-N-[4-(azidomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-2-hydrazinylpropanamide?
The canonical SMILES for 3-azido-N-[4-(azidomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-2-hydrazinylpropanamide is [N-]=[N+]=NCc1nc(-c2cccnc2)sc1NC(=O)C(CN=[N+]=[N-])NN.
What is the InChIKey of 3-azido-N-[4-(azidomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-2-hydrazinylpropanamide?
The InChIKey is CFZKXMKOAVWNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N11OS/c13-21-8(5-17-22-14)10(24)20-12-9(6-18-23-15)19-11(25-12)7-2-1-3-16-4-7/h1-4,8,21H,5-6,13H2,(H,20,24).
What are the key properties of 3-azido-N-[4-(azidomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-2-hydrazinylpropanamide?
3-azido-N-[4-(azidomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-2-hydrazinylpropanamide has a molecular weight of 359.38 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-N-[4-(azidomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-2-hydrazinylpropanamide is sourced from PubChem (CID 118944651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).