(Z)-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine

C23H27N3O2S — CID 6599706

About (Z)-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine

(Z)-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine (PubChem CID 6599706) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is (Z)-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: (Z)-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
• PubChem CID: 6599706
• Molecular Formula: C23H27N3O2S
• Molecular Weight: 409.56 g/mol
• Exact Mass: 409.18
• IUPAC Name: (Z)-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
• SMILES: Cc1ccc(/C=N\n2c(-c3cc(C)c(C)cc3C)cs/c2=N\C[C@H]2CCCO2)o1
• InChI: InChI=1S/C23H27N3O2S/c1-15-10-17(3)21(11-16(15)2)22-14-29-23(24-12-19-6-5-9-27-19)26(22)25-13-20-8-7-18(4)28-20/h7-8,10-11,13-14,19H,5-6,9,12H2,1-4H3/b24-23-,25-13-/t19-/m1/s1
• InChIKey: IKYMTHJEYFNKAY-AMPZLPNESA-N
• XLogP: 5.01
• TPSA: 52.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.56
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine?

The IUPAC name of (Z)-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine (CID 6599706) is (Z)-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine.

What is the SMILES notation for (Z)-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine?

The canonical SMILES for (Z)-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine is Cc1ccc(/C=N\n2c(-c3cc(C)c(C)cc3C)cs/c2=N\C[C@H]2CCCO2)o1.

What is the InChIKey of (Z)-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine?

The InChIKey is IKYMTHJEYFNKAY-AMPZLPNESA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-15-10-17(3)21(11-16(15)2)22-14-29-23(24-12-19-6-5-9-27-19)26(22)25-13-20-8-7-18(4)28-20/h7-8,10-11,13-14,19H,5-6,9,12H2,1-4H3/b24-23-,25-13-/t19-/m1/s1.

What are the key properties of (Z)-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine?

(Z)-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine has a molecular weight of 409.56 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 6599706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).