3-(cyclohexylideneamino)-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine

C18H22FN3OS — CID 7975580

IUPAC3-(cyclohexylideneamino)-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
SMILESCOCC/N=c1\scc(-c2ccc(F)cc2)n1N=C1CCCCC1
InChIInChI=1S/C18H22FN3OS/c1-23-12-11-20-18-22(21-16-5-3-2-4-6-16)17(13-24-18)14-7-9-15(19)10-8-14/h7-10,13H,2-6,11-12H2,1H3/b20-18-
InChIKeyJGJGSMXDFBGCAJ-ZZEZOPTASA-N
MW347.46 g/mol
LogP4.07
Rot. Bonds5

About 3-(cyclohexylideneamino)-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine

3-(cyclohexylideneamino)-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine (PubChem CID 7975580) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(cyclohexylideneamino)-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(cyclohexylideneamino)-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
PubChem CID7975580
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC Name3-(cyclohexylideneamino)-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
SMILESCOCC/N=c1\scc(-c2ccc(F)cc2)n1N=C1CCCCC1
InChIInChI=1S/C18H22FN3OS/c1-23-12-11-20-18-22(21-16-5-3-2-4-6-16)17(13-24-18)14-7-9-15(19)10-8-14/h7-10,13H,2-6,11-12H2,1H3/b20-18-
InChIKeyJGJGSMXDFBGCAJ-ZZEZOPTASA-N
XLogP4.07
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-(cyclohexylideneamino)-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-(cyclohexylideneamino)-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine (CID 7975580) is 3-(cyclohexylideneamino)-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(cyclohexylideneamino)-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-(cyclohexylideneamino)-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine is COCC/N=c1\scc(-c2ccc(F)cc2)n1N=C1CCCCC1.
What is the InChIKey of 3-(cyclohexylideneamino)-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine?
The InChIKey is JGJGSMXDFBGCAJ-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H22FN3OS/c1-23-12-11-20-18-22(21-16-5-3-2-4-6-16)17(13-24-18)14-7-9-15(19)10-8-14/h7-10,13H,2-6,11-12H2,1H3/b20-18-.
What are the key properties of 3-(cyclohexylideneamino)-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine?
3-(cyclohexylideneamino)-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine has a molecular weight of 347.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylideneamino)-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 7975580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).