(E)-1-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]but-1-en-1-amine;4-propan-2-yl-1,3-thiazole

C24H31N3S — CID 143603605

About (E)-1-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]but-1-en-1-amine;4-propan-2-yl-1,3-thiazole

(E)-1-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]but-1-en-1-amine;4-propan-2-yl-1,3-thiazole (PubChem CID 143603605) has the molecular formula C24H31N3S and a molecular weight of 393.60 g/mol. Its IUPAC name is (E)-1-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]but-1-en-1-amine;4-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: (E)-1-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]but-1-en-1-amine;4-propan-2-yl-1,3-thiazole
• PubChem CID: 143603605
• Molecular Formula: C24H31N3S
• Molecular Weight: 393.60 g/mol
• Exact Mass: 393.22
• IUPAC Name: (E)-1-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]but-1-en-1-amine;4-propan-2-yl-1,3-thiazole
• SMILES: CC(C)c1cscn1.CC/C=C(/NCc1ccc(C)nc1)c1ccc(C)cc1
• InChI: InChI=1S/C18H22N2.C6H9NS/c1-4-5-18(17-10-6-14(2)7-11-17)20-13-16-9-8-15(3)19-12-16;1-5(2)6-3-8-4-7-6/h5-12,20H,4,13H2,1-3H3;3-5H,1-2H3/b18-5+
• InChIKey: OWDPZYYTFSUYLC-RZFZGDDESA-N
• XLogP: 6.51
• TPSA: 37.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.60
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]but-1-en-1-amine;4-propan-2-yl-1,3-thiazole?

The IUPAC name of (E)-1-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]but-1-en-1-amine;4-propan-2-yl-1,3-thiazole (CID 143603605) is (E)-1-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]but-1-en-1-amine;4-propan-2-yl-1,3-thiazole.

What is the SMILES notation for (E)-1-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]but-1-en-1-amine;4-propan-2-yl-1,3-thiazole?

The canonical SMILES for (E)-1-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]but-1-en-1-amine;4-propan-2-yl-1,3-thiazole is CC(C)c1cscn1.CC/C=C(/NCc1ccc(C)nc1)c1ccc(C)cc1.

What is the InChIKey of (E)-1-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]but-1-en-1-amine;4-propan-2-yl-1,3-thiazole?

The InChIKey is OWDPZYYTFSUYLC-RZFZGDDESA-N. The full InChI is InChI=1S/C18H22N2.C6H9NS/c1-4-5-18(17-10-6-14(2)7-11-17)20-13-16-9-8-15(3)19-12-16;1-5(2)6-3-8-4-7-6/h5-12,20H,4,13H2,1-3H3;3-5H,1-2H3/b18-5+;.

What are the key properties of (E)-1-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]but-1-en-1-amine;4-propan-2-yl-1,3-thiazole?

(E)-1-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]but-1-en-1-amine;4-propan-2-yl-1,3-thiazole has a molecular weight of 393.60 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]but-1-en-1-amine;4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 143603605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).