Morantel

C₁₂H₁₆N₂S — CID 5353792

About Morantel

Morantel (PubChem CID 5353792) has the molecular formula C₁₂H₁₆N₂S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine.

Molecular Properties

• Compound Name: Morantel
• PubChem CID: 5353792
• Molecular Formula: C₁₂H₁₆N₂S
• Molecular Weight: 220.34 g/mol
• Exact Mass: 220.10
• IUPAC Name: 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine
• SMILES: Cc1ccsc1/C=C/C1=NCCCN1C
• InChI: InChI=1S/C12H16N2S/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2/h4-6,9H,3,7-8H2,1-2H3/b5-4+
• InChIKey: NVEPPWDVLBMNMB-SNAWJCMRSA-N
• XLogP: 2.80
• TPSA: 15.60 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	220.34
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Morantel?

The IUPAC name of Morantel (CID 5353792) is 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine.

What is the SMILES notation for Morantel?

The canonical SMILES for Morantel is Cc1ccsc1/C=C/C1=NCCCN1C.

What is the InChIKey of Morantel?

The InChIKey is NVEPPWDVLBMNMB-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H16N2S/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2/h4-6,9H,3,7-8H2,1-2H3/b5-4+.

What are the key properties of Morantel?

Morantel has a molecular weight of 220.34 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Morantel is sourced from PubChem (CID 5353792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5353792 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5582 — approved-drug record (CC BY-SA 4.0)

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