(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine hydrochloride

• ChemBase ID: 143937
• Molecular Formular: C8H15ClN2S
• Molecular Mass: 206.7361
• Monoisotopic Mass: 206.06444717
• SMILES: CCCc1nc(c(s1)CN)C.Cl
• Canonical SMILES: CCCc1nc(c(s1)CN)C.Cl
• InChI: InChI=1S/C8H14N2S.ClH/c1-3-4-8-10-6(2)7(5-9)11-8;/h3-5,9H2,1-2H3;1H
• InChIKey: QYTKKOBPUFDVSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine hydrochloride
• IUPAC Traditional name: (4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine hydrochloride
• Synonyms: 1-(4-Methyl-2-propyl-1,3-thiazol-5-yl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD18071226
• PubChem SID: 162238154
• PubChem CID: 50944173

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5167131
• LogD (pH = 7.4): -0.020042883
• Log P: 1.2897859
• Molar Refractivity: 47.784 cm^3
• Polarizability: 18.66749 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H15ClN2S

DETAILS

Sigma Aldrich - CBR00887

Other Notes
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Legal Information
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