(E)-4-(furan-2-yl)-N-(2-methoxyethyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine

C18H19N3O3S — CID 6905581

IUPAC(E)-4-(furan-2-yl)-N-(2-methoxyethyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESCOCC/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(OC)cc1
InChIInChI=1S/C18H19N3O3S/c1-22-11-9-19-18-21(16(13-25-18)17-4-3-10-24-17)20-12-14-5-7-15(23-2)8-6-14/h3-8,10,12-13H,9,11H2,1-2H3/b19-18-,20-12+
InChIKeyWDMDNQXZEQCPKR-YGSHZMKTSA-N
MW357.44 g/mol
LogP3.25
Rot. Bonds7

About (E)-4-(furan-2-yl)-N-(2-methoxyethyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine

(E)-4-(furan-2-yl)-N-(2-methoxyethyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 6905581) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is (E)-4-(furan-2-yl)-N-(2-methoxyethyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-4-(furan-2-yl)-N-(2-methoxyethyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID6905581
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name(E)-4-(furan-2-yl)-N-(2-methoxyethyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESCOCC/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(OC)cc1
InChIInChI=1S/C18H19N3O3S/c1-22-11-9-19-18-21(16(13-25-18)17-4-3-10-24-17)20-12-14-5-7-15(23-2)8-6-14/h3-8,10,12-13H,9,11H2,1-2H3/b19-18-,20-12+
InChIKeyWDMDNQXZEQCPKR-YGSHZMKTSA-N
XLogP3.25
TPSA61.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(furan-2-yl)-N-(2-methoxyethyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-4-(furan-2-yl)-N-(2-methoxyethyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine (CID 6905581) is (E)-4-(furan-2-yl)-N-(2-methoxyethyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-4-(furan-2-yl)-N-(2-methoxyethyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-4-(furan-2-yl)-N-(2-methoxyethyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine is COCC/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(OC)cc1.
What is the InChIKey of (E)-4-(furan-2-yl)-N-(2-methoxyethyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is WDMDNQXZEQCPKR-YGSHZMKTSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-22-11-9-19-18-21(16(13-25-18)17-4-3-10-24-17)20-12-14-5-7-15(23-2)8-6-14/h3-8,10,12-13H,9,11H2,1-2H3/b19-18-,20-12+.
What are the key properties of (E)-4-(furan-2-yl)-N-(2-methoxyethyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
(E)-4-(furan-2-yl)-N-(2-methoxyethyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 357.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(furan-2-yl)-N-(2-methoxyethyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6905581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).