(E)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine

C17H16FN3OS — CID 6347453

IUPAC(E)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine
SMILESC/C(=N/N=c1/scc(C)n1Cc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3OS/c1-12-11-23-17(21(12)10-16-4-3-9-22-16)20-19-13(2)14-5-7-15(18)8-6-14/h3-9,11H,10H2,1-2H3/b19-13-,20-17+
InChIKeyZALIEGXCSIPKLI-XCLUFWTJSA-N
MW329.40 g/mol
LogP3.96
Rot. Bonds4

About (E)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine

(E)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine (PubChem CID 6347453) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is (E)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine
PubChem CID6347453
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name(E)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine
SMILESC/C(=N/N=c1/scc(C)n1Cc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3OS/c1-12-11-23-17(21(12)10-16-4-3-9-22-16)20-19-13(2)14-5-7-15(18)8-6-14/h3-9,11H,10H2,1-2H3/b19-13-,20-17+
InChIKeyZALIEGXCSIPKLI-XCLUFWTJSA-N
XLogP3.96
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
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CID 726542
1-(furan-2-ylmethyl)-2-(m-tolyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
CID 1249348
(Z)-3-(furan-2-ylmethyl)-4-methyl-2-((E)-(1-(3-nitrophenyl)ethylidene)hydrazono)-2,3-dihydrothiazole
CID 9619597
(E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine;hydrate;hydrobromide
CID 90675484
3-(2-furylmethyl)-4-methyl-1,3-thiazol-2(3H)-one (1-methylethylidene)hydrazone
CID 9618084
(Z)-2-(cyclohexylidenehydrazono)-3-(furan-2-ylmethyl)-4-methyl-2,3-dihydrothiazole
CID 9619595
3-Furan-2-ylmethyl-5-methyl-2-[(1-phenyl-propylidene)-hydrazono]-thiazolidin-4-one
CID 6160635
1-(2-Furanylmethyl)-7,7-dimethyl-2-(4-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione
CID 662414
(Z)-N-(3-(furan-2-ylmethyl)-4-methylthiazol-2(3H)-ylidene)benzamide
CID 741668
2-{[1-ethyl-4-(4-fluorobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-(2-furylmethyl)acetamide
CID 1820041
(Z)-2-((E)-benzylidenehydrazono)-3-(furan-2-ylmethyl)-4-methyl-2,3-dihydrothiazole
CID 9619596

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine?
The IUPAC name of (E)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine (CID 6347453) is (E)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine?
The canonical SMILES for (E)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine is C/C(=N/N=c1/scc(C)n1Cc1ccco1)c1ccc(F)cc1.
What is the InChIKey of (E)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine?
The InChIKey is ZALIEGXCSIPKLI-XCLUFWTJSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-12-11-23-17(21(12)10-16-4-3-9-22-16)20-19-13(2)14-5-7-15(18)8-6-14/h3-9,11H,10H2,1-2H3/b19-13-,20-17+.
What are the key properties of (E)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine?
(E)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine has a molecular weight of 329.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 6347453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).