2-(3-azidopropylsulfanyl)-1,3-thiazole

C6H8N4S2 — CID 61397257

IUPAC2-(3-azidopropylsulfanyl)-1,3-thiazole
SMILES[N-]=[N+]=NCCCSc1nccs1
InChIInChI=1S/C6H8N4S2/c7-10-9-2-1-4-11-6-8-3-5-12-6/h3,5H,1-2,4H2
InChIKeyBLYYKPJCGQCZCI-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.94
Rot. Bonds5

About 2-(3-azidopropylsulfanyl)-1,3-thiazole

2-(3-azidopropylsulfanyl)-1,3-thiazole (PubChem CID 61397257) has the molecular formula C6H8N4S2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-(3-azidopropylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-azidopropylsulfanyl)-1,3-thiazole
PubChem CID61397257
Molecular FormulaC6H8N4S2
Molecular Weight200.29 g/mol
Exact Mass200.02
IUPAC Name2-(3-azidopropylsulfanyl)-1,3-thiazole
SMILES[N-]=[N+]=NCCCSc1nccs1
InChIInChI=1S/C6H8N4S2/c7-10-9-2-1-4-11-6-8-3-5-12-6/h3,5H,1-2,4H2
InChIKeyBLYYKPJCGQCZCI-UHFFFAOYSA-N
XLogP2.94
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-(3-azidopropylsulfanyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylsulfanyl)-1,3-thiazole?
The IUPAC name of 2-(3-azidopropylsulfanyl)-1,3-thiazole (CID 61397257) is 2-(3-azidopropylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-azidopropylsulfanyl)-1,3-thiazole?
The canonical SMILES for 2-(3-azidopropylsulfanyl)-1,3-thiazole is [N-]=[N+]=NCCCSc1nccs1.
What is the InChIKey of 2-(3-azidopropylsulfanyl)-1,3-thiazole?
The InChIKey is BLYYKPJCGQCZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4S2/c7-10-9-2-1-4-11-6-8-3-5-12-6/h3,5H,1-2,4H2.
What are the key properties of 2-(3-azidopropylsulfanyl)-1,3-thiazole?
2-(3-azidopropylsulfanyl)-1,3-thiazole has a molecular weight of 200.29 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 61397257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).