2-(pyrrolidin-2-yl)-1,3-thiazole

• ChemBase ID: 297450
• Molecular Formular: C7H10N2S
• Molecular Mass: 154.2327
• Monoisotopic Mass: 154.05646933
• SMILES: c1csc(n1)C1CCCN1
• Canonical SMILES: C1CNC(C1)c1nccs1
• InChI: InChI=1S/C7H10N2S/c1-2-6(8-3-1)7-9-4-5-10-7/h4-6,8H,1-3H2
• InChIKey: OHXHYELTRYIFII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-2-yl)-1,3-thiazole
• IUPAC Traditional name: 2-(pyrrolidin-2-yl)-1,3-thiazole
• Synonyms: 2-(2-Pyrrolidino)thiazole; 2-(2-Thiazolyl)pyrrolidine; 2-(2-Pyrrolidinyl)thiazole; 2-pyrrolidin-2-yl-1,3-thiazole; 2-(2-PYRROLIDINYL)-1,3-THIAZOLE; 2-(2-吡咯烷基)噻唑

Database IDs

• CAS Number: 524674-17-7; 1211526-76-9
• MDL Number: MFCD04966887
• PubChem SID: 180682981
• PubChem CID: 3358090

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0801747
• LogD (pH = 7.4): -0.513869
• Log P: 0.88130766
• Molar Refractivity: 41.1277 cm^3
• Polarizability: 16.269278 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%