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

C16H14FN3OS — CID 6903079

IUPAC(E)-4-(4-fluorophenyl)-N-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(C)o1
InChIInChI=1S/C16H14FN3OS/c1-11-3-8-14(21-11)9-19-20-15(10-22-16(20)18-2)12-4-6-13(17)7-5-12/h3-10H,1-2H3/b18-16-,19-9+
InChIKeyIIUUVLDWOXAMJP-BMOFTDQESA-N
MW315.37 g/mol
LogP3.67
Rot. Bonds3

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

(E)-4-(4-fluorophenyl)-N-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 6903079) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is (E)-4-(4-fluorophenyl)-N-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-4-(4-fluorophenyl)-N-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID6903079
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name(E)-4-(4-fluorophenyl)-N-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(C)o1
InChIInChI=1S/C16H14FN3OS/c1-11-3-8-14(21-11)9-19-20-15(10-22-16(20)18-2)12-4-6-13(17)7-5-12/h3-10H,1-2H3/b18-16-,19-9+
InChIKeyIIUUVLDWOXAMJP-BMOFTDQESA-N
XLogP3.67
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.67
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)-4-(4-fluorophenyl)-N-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-4-(4-fluorophenyl)-N-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine (CID 6903079) is (E)-4-(4-fluorophenyl)-N-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-4-(4-fluorophenyl)-N-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-4-(4-fluorophenyl)-N-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(C)o1.
What is the InChIKey of (E)-4-(4-fluorophenyl)-N-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is IIUUVLDWOXAMJP-BMOFTDQESA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-11-3-8-14(21-11)9-19-20-15(10-22-16(20)18-2)12-4-6-13(17)7-5-12/h3-10H,1-2H3/b18-16-,19-9+.
What are the key properties of (E)-4-(4-fluorophenyl)-N-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
(E)-4-(4-fluorophenyl)-N-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 315.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-fluorophenyl)-N-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6903079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).