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

C23H23FN2OS — CID 139232311

IUPAC4-cyclopropyl-N-(4-ethoxyphenyl)-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(C2CC2)c(-c2ccccc2F)s/c1=N\c1ccc(OCC)cc1
InChIInChI=1S/C23H23FN2OS/c1-3-15-26-21(16-9-10-16)22(19-7-5-6-8-20(19)24)28-23(26)25-17-11-13-18(14-12-17)27-4-2/h3,5-8,11-14,16H,1,4,9-10,15H2,2H3/b25-23-
InChIKeyHZKVUOWEDQDHJE-BZZOAKBMSA-N
MW394.52 g/mol
LogP6.05
Rot. Bonds7

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

4-cyclopropyl-N-(4-ethoxyphenyl)-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 139232311) has the molecular formula C23H23FN2OS and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-cyclopropyl-N-(4-ethoxyphenyl)-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-cyclopropyl-N-(4-ethoxyphenyl)-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID139232311
Molecular FormulaC23H23FN2OS
Molecular Weight394.52 g/mol
Exact Mass394.15
IUPAC Name4-cyclopropyl-N-(4-ethoxyphenyl)-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(C2CC2)c(-c2ccccc2F)s/c1=N\c1ccc(OCC)cc1
InChIInChI=1S/C23H23FN2OS/c1-3-15-26-21(16-9-10-16)22(19-7-5-6-8-20(19)24)28-23(26)25-17-11-13-18(14-12-17)27-4-2/h3,5-8,11-14,16H,1,4,9-10,15H2,2H3/b25-23-
InChIKeyHZKVUOWEDQDHJE-BZZOAKBMSA-N
XLogP6.05
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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)-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of 4-cyclopropyl-N-(4-ethoxyphenyl)-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine (CID 139232311) is 4-cyclopropyl-N-(4-ethoxyphenyl)-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-cyclopropyl-N-(4-ethoxyphenyl)-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-cyclopropyl-N-(4-ethoxyphenyl)-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine is C=CCn1c(C2CC2)c(-c2ccccc2F)s/c1=N\c1ccc(OCC)cc1.
What is the InChIKey of 4-cyclopropyl-N-(4-ethoxyphenyl)-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is HZKVUOWEDQDHJE-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H23FN2OS/c1-3-15-26-21(16-9-10-16)22(19-7-5-6-8-20(19)24)28-23(26)25-17-11-13-18(14-12-17)27-4-2/h3,5-8,11-14,16H,1,4,9-10,15H2,2H3/b25-23-.
What are the key properties of 4-cyclopropyl-N-(4-ethoxyphenyl)-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
4-cyclopropyl-N-(4-ethoxyphenyl)-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 394.52 g/mol, XLogP of 6.05, 7 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)-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 139232311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).