5-azido-2-phenyl-1,3-thiazole-4-carbaldehyde

C10H6N4OS — CID 15415019

IUPAC5-azido-2-phenyl-1,3-thiazole-4-carbaldehyde
SMILES[N-]=[N+]=Nc1sc(-c2ccccc2)nc1C=O
InChIInChI=1S/C10H6N4OS/c11-14-13-10-8(6-15)12-9(16-10)7-4-2-1-3-5-7/h1-6H
InChIKeyLIUYKWYKRZIMNX-UHFFFAOYSA-N
MW230.25 g/mol
LogP3.56
Rot. Bonds3

About 5-azido-2-phenyl-1,3-thiazole-4-carbaldehyde

5-azido-2-phenyl-1,3-thiazole-4-carbaldehyde (PubChem CID 15415019) has the molecular formula C10H6N4OS and a molecular weight of 230.25 g/mol. Its IUPAC name is 5-azido-2-phenyl-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name5-azido-2-phenyl-1,3-thiazole-4-carbaldehyde
PubChem CID15415019
Molecular FormulaC10H6N4OS
Molecular Weight230.25 g/mol
Exact Mass230.03
IUPAC Name5-azido-2-phenyl-1,3-thiazole-4-carbaldehyde
SMILES[N-]=[N+]=Nc1sc(-c2ccccc2)nc1C=O
InChIInChI=1S/C10H6N4OS/c11-14-13-10-8(6-15)12-9(16-10)7-4-2-1-3-5-7/h1-6H
InChIKeyLIUYKWYKRZIMNX-UHFFFAOYSA-N
XLogP3.56
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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 5-azido-2-phenyl-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 5-azido-2-phenyl-1,3-thiazole-4-carbaldehyde (CID 15415019) is 5-azido-2-phenyl-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 5-azido-2-phenyl-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 5-azido-2-phenyl-1,3-thiazole-4-carbaldehyde is [N-]=[N+]=Nc1sc(-c2ccccc2)nc1C=O.
What is the InChIKey of 5-azido-2-phenyl-1,3-thiazole-4-carbaldehyde?
The InChIKey is LIUYKWYKRZIMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4OS/c11-14-13-10-8(6-15)12-9(16-10)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 5-azido-2-phenyl-1,3-thiazole-4-carbaldehyde?
5-azido-2-phenyl-1,3-thiazole-4-carbaldehyde has a molecular weight of 230.25 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-2-phenyl-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 15415019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).