3-cyclopentyl-N-(2-ethoxyphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine

C22H23FN2OS — CID 3658107

IUPAC3-cyclopentyl-N-(2-ethoxyphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine
SMILESCCOc1ccccc1/N=c1\scc(-c2ccccc2F)n1C1CCCC1
InChIInChI=1S/C22H23FN2OS/c1-2-26-21-14-8-7-13-19(21)24-22-25(16-9-3-4-10-16)20(15-27-22)17-11-5-6-12-18(17)23/h5-8,11-16H,2-4,9-10H2,1H3/b24-22-
InChIKeyZLSGVOKIUKIXFF-GYHWCHFESA-N
MW382.50 g/mol
LogP6.10
Rot. Bonds5

About 3-cyclopentyl-N-(2-ethoxyphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine

3-cyclopentyl-N-(2-ethoxyphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine (PubChem CID 3658107) has the molecular formula C22H23FN2OS and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-cyclopentyl-N-(2-ethoxyphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-cyclopentyl-N-(2-ethoxyphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine
PubChem CID3658107
Molecular FormulaC22H23FN2OS
Molecular Weight382.50 g/mol
Exact Mass382.15
IUPAC Name3-cyclopentyl-N-(2-ethoxyphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine
SMILESCCOc1ccccc1/N=c1\scc(-c2ccccc2F)n1C1CCCC1
InChIInChI=1S/C22H23FN2OS/c1-2-26-21-14-8-7-13-19(21)24-22-25(16-9-3-4-10-16)20(15-27-22)17-11-5-6-12-18(17)23/h5-8,11-16H,2-4,9-10H2,1H3/b24-22-
InChIKeyZLSGVOKIUKIXFF-GYHWCHFESA-N
XLogP6.10
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 56.10
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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Related Compounds

6-(4-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butoxy)phenyl)-5,6-dihydroimidazo[2,1-b]thiazole
CID 44589376
2-[(2Z)-4-(3-fluoro-4-methoxyphenyl)-2-(phenylimino)-1,3-thiazol-3(2H)-yl]ethanol
CID 683363
Methyl 3-(2-ethoxyphenyl)imino-2-thia-4-azaspiro[5.5]undecane-4-carbodithioate
CID 44432324
3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine
CID 693862
N-(3-(3-(Dimethylamino)propyl)-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)aniline
CID 396118
2-[(2Z)-4-(4-methoxyphenyl)-2-(phenylimino)-1,3-thiazol-3(2H)-yl]ethanol
CID 701126
2-[(2Z)-4-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)imino]-1,3-thiazol-3(2H)-yl]ethanol
CID 1514809
3-[(2Z)-2-[(4-ethoxyphenyl)imino]-4-(4-fluorophenyl)-1,3-thiazol-3(2H)-yl]propan-1-ol
CID 4410921
CID 9549117
CID 9549117
2-((2Z)-2-[(4-ethoxyphenyl)imino]-4-phenyl-1,3-thiazol-3(2H)-yl)ethanol hydrobromide
CID 9551314
N-(4-ethoxyphenyl)-N-(2-fluorobenzyl)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine 5,5-dioxide
CID 16195857
(5Z)-N-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine
CID 155535728

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(2-ethoxyphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-cyclopentyl-N-(2-ethoxyphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine (CID 3658107) is 3-cyclopentyl-N-(2-ethoxyphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-cyclopentyl-N-(2-ethoxyphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-cyclopentyl-N-(2-ethoxyphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine is CCOc1ccccc1/N=c1\scc(-c2ccccc2F)n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-(2-ethoxyphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine?
The InChIKey is ZLSGVOKIUKIXFF-GYHWCHFESA-N. The full InChI is InChI=1S/C22H23FN2OS/c1-2-26-21-14-8-7-13-19(21)24-22-25(16-9-3-4-10-16)20(15-27-22)17-11-5-6-12-18(17)23/h5-8,11-16H,2-4,9-10H2,1H3/b24-22-.
What are the key properties of 3-cyclopentyl-N-(2-ethoxyphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine?
3-cyclopentyl-N-(2-ethoxyphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine has a molecular weight of 382.50 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(2-ethoxyphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 3658107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).