(E)-4-(2-fluorophenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine

C17H16FN3O2S — CID 6902668

IUPAC(E)-4-(2-fluorophenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine
SMILESCOCC/N=c1\scc(-c2ccccc2F)n1/N=C/c1ccco1
InChIInChI=1S/C17H16FN3O2S/c1-22-10-8-19-17-21(20-11-13-5-4-9-23-13)16(12-24-17)14-6-2-3-7-15(14)18/h2-7,9,11-12H,8,10H2,1H3/b19-17-,20-11+
InChIKeyIMMOVBHBBKXVQZ-MXPDZRDSSA-N
MW345.40 g/mol
LogP3.38
Rot. Bonds6

About (E)-4-(2-fluorophenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine

(E)-4-(2-fluorophenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine (PubChem CID 6902668) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is (E)-4-(2-fluorophenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-4-(2-fluorophenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine
PubChem CID6902668
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name(E)-4-(2-fluorophenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine
SMILESCOCC/N=c1\scc(-c2ccccc2F)n1/N=C/c1ccco1
InChIInChI=1S/C17H16FN3O2S/c1-22-10-8-19-17-21(20-11-13-5-4-9-23-13)16(12-24-17)14-6-2-3-7-15(14)18/h2-7,9,11-12H,8,10H2,1H3/b19-17-,20-11+
InChIKeyIMMOVBHBBKXVQZ-MXPDZRDSSA-N
XLogP3.38
TPSA52.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2-fluorophenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine?
The IUPAC name of (E)-4-(2-fluorophenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine (CID 6902668) is (E)-4-(2-fluorophenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-4-(2-fluorophenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine?
The canonical SMILES for (E)-4-(2-fluorophenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine is COCC/N=c1\scc(-c2ccccc2F)n1/N=C/c1ccco1.
What is the InChIKey of (E)-4-(2-fluorophenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine?
The InChIKey is IMMOVBHBBKXVQZ-MXPDZRDSSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-22-10-8-19-17-21(20-11-13-5-4-9-23-13)16(12-24-17)14-6-2-3-7-15(14)18/h2-7,9,11-12H,8,10H2,1H3/b19-17-,20-11+.
What are the key properties of (E)-4-(2-fluorophenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine?
(E)-4-(2-fluorophenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine has a molecular weight of 345.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-fluorophenyl)-3-[(E)-furan-2-ylmethylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 6902668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).