2-(3-azidoprop-1-enyl)-1,3-thiazole-4-carbaldehyde

C7H6N4OS — CID 169461297

IUPAC2-(3-azidoprop-1-enyl)-1,3-thiazole-4-carbaldehyde
SMILES[N-]=[N+]=NCC=Cc1nc(C=O)cs1
InChIInChI=1S/C7H6N4OS/c8-11-9-3-1-2-7-10-6(4-12)5-13-7/h1-2,4-5H,3H2
InChIKeyKGRAVAMKANSANR-UHFFFAOYSA-N
MW194.22 g/mol
LogP2.28
Rot. Bonds4

About 2-(3-azidoprop-1-enyl)-1,3-thiazole-4-carbaldehyde

2-(3-azidoprop-1-enyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 169461297) has the molecular formula C7H6N4OS and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-(3-azidoprop-1-enyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(3-azidoprop-1-enyl)-1,3-thiazole-4-carbaldehyde
PubChem CID169461297
Molecular FormulaC7H6N4OS
Molecular Weight194.22 g/mol
Exact Mass194.03
IUPAC Name2-(3-azidoprop-1-enyl)-1,3-thiazole-4-carbaldehyde
SMILES[N-]=[N+]=NCC=Cc1nc(C=O)cs1
InChIInChI=1S/C7H6N4OS/c8-11-9-3-1-2-7-10-6(4-12)5-13-7/h1-2,4-5H,3H2
InChIKeyKGRAVAMKANSANR-UHFFFAOYSA-N
XLogP2.28
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 52.28
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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Related Compounds

2-(3-azidoprop-1-enyl)benzaldehyde
CID 169461381
5-(3-azidoprop-1-enyl)furan-2-carbaldehyde
CID 169461233
3-(3-azidoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde
CID 169462541
5-(3-azidoprop-1-enyl)thiophene-3-carboxylic acid
CID 169461355
3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde
CID 169462862
5-(3-azidoprop-1-enyl)pyrazin-2-amine
CID 169461316
6-(3-azidoprop-1-enyl)pyridin-3-ol
CID 169461303
6-(3-azidoprop-1-enyl)-1,3-benzodioxole-5-carbaldehyde
CID 169462417
5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine
CID 169461414
3-(3-azidoprop-1-enyl)-1H-pyridin-2-one
CID 169461306
3-(3-azidoprop-1-enyl)-2H-indazole
CID 169461871
5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine
CID 169461396

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidoprop-1-enyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(3-azidoprop-1-enyl)-1,3-thiazole-4-carbaldehyde (CID 169461297) is 2-(3-azidoprop-1-enyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(3-azidoprop-1-enyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(3-azidoprop-1-enyl)-1,3-thiazole-4-carbaldehyde is [N-]=[N+]=NCC=Cc1nc(C=O)cs1.
What is the InChIKey of 2-(3-azidoprop-1-enyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is KGRAVAMKANSANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4OS/c8-11-9-3-1-2-7-10-6(4-12)5-13-7/h1-2,4-5H,3H2.
What are the key properties of 2-(3-azidoprop-1-enyl)-1,3-thiazole-4-carbaldehyde?
2-(3-azidoprop-1-enyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 194.22 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidoprop-1-enyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 169461297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).