(E)-4-(2,5-dimethoxyphenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-methyl-1,3-thiazol-2-imine

C17H17N3O3S — CID 6904880

IUPAC(E)-4-(2,5-dimethoxyphenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cc(OC)ccc2OC)n1/N=C/c1ccco1
InChIInChI=1S/C17H17N3O3S/c1-18-17-20(19-10-13-5-4-8-23-13)15(11-24-17)14-9-12(21-2)6-7-16(14)22-3/h4-11H,1-3H3/b18-17-,19-10+
InChIKeyVASVYCQELJFUOP-PRUPWKLTSA-N
MW343.41 g/mol
LogP3.24
Rot. Bonds5

About (E)-4-(2,5-dimethoxyphenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-methyl-1,3-thiazol-2-imine

(E)-4-(2,5-dimethoxyphenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-methyl-1,3-thiazol-2-imine (PubChem CID 6904880) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is (E)-4-(2,5-dimethoxyphenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-4-(2,5-dimethoxyphenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-methyl-1,3-thiazol-2-imine
PubChem CID6904880
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name(E)-4-(2,5-dimethoxyphenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cc(OC)ccc2OC)n1/N=C/c1ccco1
InChIInChI=1S/C17H17N3O3S/c1-18-17-20(19-10-13-5-4-8-23-13)15(11-24-17)14-9-12(21-2)6-7-16(14)22-3/h4-11H,1-3H3/b18-17-,19-10+
InChIKeyVASVYCQELJFUOP-PRUPWKLTSA-N
XLogP3.24
TPSA61.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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)-4-(2,5-dimethoxyphenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-methyl-1,3-thiazol-2-imine?
The IUPAC name of (E)-4-(2,5-dimethoxyphenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-methyl-1,3-thiazol-2-imine (CID 6904880) is (E)-4-(2,5-dimethoxyphenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-4-(2,5-dimethoxyphenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-methyl-1,3-thiazol-2-imine?
The canonical SMILES for (E)-4-(2,5-dimethoxyphenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-methyl-1,3-thiazol-2-imine is C/N=c1\scc(-c2cc(OC)ccc2OC)n1/N=C/c1ccco1.
What is the InChIKey of (E)-4-(2,5-dimethoxyphenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-methyl-1,3-thiazol-2-imine?
The InChIKey is VASVYCQELJFUOP-PRUPWKLTSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-18-17-20(19-10-13-5-4-8-23-13)15(11-24-17)14-9-12(21-2)6-7-16(14)22-3/h4-11H,1-3H3/b18-17-,19-10+.
What are the key properties of (E)-4-(2,5-dimethoxyphenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-methyl-1,3-thiazol-2-imine?
(E)-4-(2,5-dimethoxyphenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-methyl-1,3-thiazol-2-imine has a molecular weight of 343.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,5-dimethoxyphenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 6904880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).