4-cyclopropyl-N-(4-ethoxyphenyl)-3-ethyl-5-(2-fluorophenyl)-1,3-thiazol-2-imine

C22H23FN2OS — CID 139232316

IUPAC4-cyclopropyl-N-(4-ethoxyphenyl)-3-ethyl-5-(2-fluorophenyl)-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\sc(-c3ccccc3F)c(C3CC3)n2CC)cc1
InChIInChI=1S/C22H23FN2OS/c1-3-25-20(15-9-10-15)21(18-7-5-6-8-19(18)23)27-22(25)24-16-11-13-17(14-12-16)26-4-2/h5-8,11-15H,3-4,9-10H2,1-2H3/b24-22-
InChIKeyVRJCFSQDBDQGFP-GYHWCHFESA-N
MW382.50 g/mol
LogP5.88
Rot. Bonds6

About 4-cyclopropyl-N-(4-ethoxyphenyl)-3-ethyl-5-(2-fluorophenyl)-1,3-thiazol-2-imine

4-cyclopropyl-N-(4-ethoxyphenyl)-3-ethyl-5-(2-fluorophenyl)-1,3-thiazol-2-imine (PubChem CID 139232316) has the molecular formula C22H23FN2OS and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-cyclopropyl-N-(4-ethoxyphenyl)-3-ethyl-5-(2-fluorophenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-cyclopropyl-N-(4-ethoxyphenyl)-3-ethyl-5-(2-fluorophenyl)-1,3-thiazol-2-imine
PubChem CID139232316
Molecular FormulaC22H23FN2OS
Molecular Weight382.50 g/mol
Exact Mass382.15
IUPAC Name4-cyclopropyl-N-(4-ethoxyphenyl)-3-ethyl-5-(2-fluorophenyl)-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\sc(-c3ccccc3F)c(C3CC3)n2CC)cc1
InChIInChI=1S/C22H23FN2OS/c1-3-25-20(15-9-10-15)21(18-7-5-6-8-19(18)23)27-22(25)24-16-11-13-17(14-12-16)26-4-2/h5-8,11-15H,3-4,9-10H2,1-2H3/b24-22-
InChIKeyVRJCFSQDBDQGFP-GYHWCHFESA-N
XLogP5.88
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyl-N-(4-ethoxyphenyl)-3-ethyl-5-(2-fluorophenyl)-1,3-thiazol-2-imine with MolForge

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Related Compounds

1-(4-Benzyloxy-phenyl)-2-ethyl-isothiourea; hydriodide
CID 10755655
ethyl N'-(4-phenylmethoxyphenyl)carbamimidothioate;hydroiodide
CID 45264407
3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine
CID 693862
(2Z)-3-benzyl-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one
CID 1528671
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)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-(4-methylphenyl)-1,3-thiazolidin-2-imine
CID 155520129
(5Z)-N-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine
CID 155535728
(5Z)-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine
CID 155547884
2-(4-(2-fluoro-4-methoxyphenyl)-2-[(4-methoxyphenyl)imino]-1,3-thiazol-3(2H)-yl)ethanol
CID 979656

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(4-ethoxyphenyl)-3-ethyl-5-(2-fluorophenyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-cyclopropyl-N-(4-ethoxyphenyl)-3-ethyl-5-(2-fluorophenyl)-1,3-thiazol-2-imine (CID 139232316) is 4-cyclopropyl-N-(4-ethoxyphenyl)-3-ethyl-5-(2-fluorophenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-cyclopropyl-N-(4-ethoxyphenyl)-3-ethyl-5-(2-fluorophenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-cyclopropyl-N-(4-ethoxyphenyl)-3-ethyl-5-(2-fluorophenyl)-1,3-thiazol-2-imine is CCOc1ccc(/N=c2\sc(-c3ccccc3F)c(C3CC3)n2CC)cc1.
What is the InChIKey of 4-cyclopropyl-N-(4-ethoxyphenyl)-3-ethyl-5-(2-fluorophenyl)-1,3-thiazol-2-imine?
The InChIKey is VRJCFSQDBDQGFP-GYHWCHFESA-N. The full InChI is InChI=1S/C22H23FN2OS/c1-3-25-20(15-9-10-15)21(18-7-5-6-8-19(18)23)27-22(25)24-16-11-13-17(14-12-16)26-4-2/h5-8,11-15H,3-4,9-10H2,1-2H3/b24-22-.
What are the key properties of 4-cyclopropyl-N-(4-ethoxyphenyl)-3-ethyl-5-(2-fluorophenyl)-1,3-thiazol-2-imine?
4-cyclopropyl-N-(4-ethoxyphenyl)-3-ethyl-5-(2-fluorophenyl)-1,3-thiazol-2-imine has a molecular weight of 382.50 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(4-ethoxyphenyl)-3-ethyl-5-(2-fluorophenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 139232316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).