1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperazine

• ChemBase ID: 117495
• Molecular Formular: C11H16N4S
• Molecular Mass: 236.33654
• Monoisotopic Mass: 236.10956753
• SMILES: c12n(c(c(n1)C)CN1CCNCC1)ccs2
• Canonical SMILES: Cc1nc2n(c1CN1CCNCC1)ccs2
• InChI: InChI=1S/C11H16N4S/c1-9-10(8-14-4-2-12-3-5-14)15-6-7-16-11(15)13-9/h6-7,12H,2-5,8H2,1H3
• InChIKey: VXNZKXNVNPVPMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperazine
• IUPAC Traditional name: 1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperazine
• Synonyms: 6-methyl-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole

Database IDs

• MDL Number: MFCD16653169
• PubChem SID: 162089513
• PubChem CID: 38996171

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2758806
• LogD (pH = 7.4): -1.712504
• Log P: 0.1057
• Molar Refractivity: 77.2795 cm^3
• Polarizability: 25.26709 Å^3
• Polar Surface Area: 32.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.252

Product Information

• Purity: 95+%