(E)-N-ethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine

C20H23N3OS — CID 6906339

IUPAC(E)-N-ethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2cc(C)c(C)cc2C)n1/N=C/c1ccc(C)o1
InChIInChI=1S/C20H23N3OS/c1-6-21-20-23(22-11-17-8-7-16(5)24-17)19(12-25-20)18-10-14(3)13(2)9-15(18)4/h7-12H,6H2,1-5H3/b21-20-,22-11+
InChIKeyFJAGUMUROXRGRM-KULGIPGCSA-N
MW353.49 g/mol
LogP4.85
Rot. Bonds4

About (E)-N-ethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine

(E)-N-ethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine (PubChem CID 6906339) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is (E)-N-ethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-N-ethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
PubChem CID6906339
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name(E)-N-ethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2cc(C)c(C)cc2C)n1/N=C/c1ccc(C)o1
InChIInChI=1S/C20H23N3OS/c1-6-21-20-23(22-11-17-8-7-16(5)24-17)19(12-25-20)18-10-14(3)13(2)9-15(18)4/h7-12H,6H2,1-5H3/b21-20-,22-11+
InChIKeyFJAGUMUROXRGRM-KULGIPGCSA-N
XLogP4.85
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of (E)-N-ethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine (CID 6906339) is (E)-N-ethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-N-ethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for (E)-N-ethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine is CC/N=c1\scc(-c2cc(C)c(C)cc2C)n1/N=C/c1ccc(C)o1.
What is the InChIKey of (E)-N-ethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine?
The InChIKey is FJAGUMUROXRGRM-KULGIPGCSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-6-21-20-23(22-11-17-8-7-16(5)24-17)19(12-25-20)18-10-14(3)13(2)9-15(18)4/h7-12H,6H2,1-5H3/b21-20-,22-11+.
What are the key properties of (E)-N-ethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine?
(E)-N-ethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine has a molecular weight of 353.49 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 6906339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).