3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine

C18H17FN2OS — CID 693862

IUPAC3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine
SMILESCCn1c(-c2ccc(OC)c(F)c2)cs/c1=N\c1ccccc1
InChIInChI=1S/C18H17FN2OS/c1-3-21-16(13-9-10-17(22-2)15(19)11-13)12-23-18(21)20-14-7-5-4-6-8-14/h4-12H,3H2,1-2H3/b20-18-
InChIKeyGOYJPZQMECJLBY-ZZEZOPTASA-N
MW328.41 g/mol
LogP4.62
Rot. Bonds4

About 3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine

3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine (PubChem CID 693862) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine
PubChem CID693862
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine
SMILESCCn1c(-c2ccc(OC)c(F)c2)cs/c1=N\c1ccccc1
InChIInChI=1S/C18H17FN2OS/c1-3-21-16(13-9-10-17(22-2)15(19)11-13)12-23-18(21)20-14-7-5-4-6-8-14/h4-12H,3H2,1-2H3/b20-18-
InChIKeyGOYJPZQMECJLBY-ZZEZOPTASA-N
XLogP4.62
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine (CID 693862) is 3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine is CCn1c(-c2ccc(OC)c(F)c2)cs/c1=N\c1ccccc1.
What is the InChIKey of 3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine?
The InChIKey is GOYJPZQMECJLBY-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17FN2OS/c1-3-21-16(13-9-10-17(22-2)15(19)11-13)12-23-18(21)20-14-7-5-4-6-8-14/h4-12H,3H2,1-2H3/b20-18-.
What are the key properties of 3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine?
3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 328.41 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 693862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).