N-ethyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine

C17H16FN3OS — CID 23913011

IUPACN-ethyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccccc2F)n1N=C(C)c1ccco1
InChIInChI=1S/C17H16FN3OS/c1-3-19-17-21(20-12(2)16-9-6-10-22-16)15(11-23-17)13-7-4-5-8-14(13)18/h4-11H,3H2,1-2H3/b19-17-,20-12?
InChIKeyWUVUVZGCGYASQG-RBTHSVJSSA-N
MW329.40 g/mol
LogP4.14
Rot. Bonds4

About N-ethyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine

N-ethyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine (PubChem CID 23913011) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is N-ethyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-ethyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine
PubChem CID23913011
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC NameN-ethyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccccc2F)n1N=C(C)c1ccco1
InChIInChI=1S/C17H16FN3OS/c1-3-19-17-21(20-12(2)16-9-6-10-22-16)15(11-23-17)13-7-4-5-8-14(13)18/h4-11H,3H2,1-2H3/b19-17-,20-12?
InChIKeyWUVUVZGCGYASQG-RBTHSVJSSA-N
XLogP4.14
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 ≤ 54.14
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 N-ethyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of N-ethyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine (CID 23913011) is N-ethyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for N-ethyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for N-ethyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccccc2F)n1N=C(C)c1ccco1.
What is the InChIKey of N-ethyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is WUVUVZGCGYASQG-RBTHSVJSSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-3-19-17-21(20-12(2)16-9-6-10-22-16)15(11-23-17)13-7-4-5-8-14(13)18/h4-11H,3H2,1-2H3/b19-17-,20-12?.
What are the key properties of N-ethyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine?
N-ethyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 329.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 23913011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).