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

C17H15FN2S — CID 5245414

IUPAC3-ethyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine
SMILESCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C17H15FN2S/c1-2-20-16(13-8-10-14(18)11-9-13)12-21-17(20)19-15-6-4-3-5-7-15/h3-12H,2H2,1H3/b19-17-
InChIKeyJYKMSGTWTZANDU-ZPHPHTNESA-N
MW298.39 g/mol
LogP4.61
Rot. Bonds3

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

3-ethyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine (PubChem CID 5245414) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-ethyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-ethyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine
PubChem CID5245414
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC Name3-ethyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine
SMILESCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C17H15FN2S/c1-2-20-16(13-8-10-14(18)11-9-13)12-21-17(20)19-15-6-4-3-5-7-15/h3-12H,2H2,1H3/b19-17-
InChIKeyJYKMSGTWTZANDU-ZPHPHTNESA-N
XLogP4.61
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(2-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
CID 16196028
benzyl N,N-dimethyl-N'-(C-methylsulfanyl-N-phenylcarbonimidoyl)carbamimidothioate;hydroiodide
CID 360443
Diethyl{2-[4-phenyl-2-(phenylazamethylene)(1,3-thiazolin-3-yl)]ethyl}amine
CID 1537448
3-[(2Z)-4-(4-fluorophenyl)-2-[(4-fluorophenyl)imino]-1,3-thiazol-3(2H)-yl]propan-1-ol
CID 3603076
3-[(2Z)-4-phenyl-2-(phenylimino)-1,3-thiazol-3(2H)-yl]propan-1-ol
CID 16193629
4-[[4-(2,4-Difluorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
CID 156016319
4-[[3-Ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
CID 156017841
N-(2-(3-Benzylthiazolidylidene))aniline
CID 115915
(3,4-Diphenyl-3H-thiazol-2-ylidene)-phenyl-amine
CID 725578
N-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2731508
3-Benzyl-2-(phenylimino)-1,3-thiazolidin-4-one
CID 3849976
3-(4-Fluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
CID 16192611

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 3-ethyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine (CID 5245414) is 3-ethyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-ethyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-ethyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine is CCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1.
What is the InChIKey of 3-ethyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine?
The InChIKey is JYKMSGTWTZANDU-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15FN2S/c1-2-20-16(13-8-10-14(18)11-9-13)12-21-17(20)19-15-6-4-3-5-7-15/h3-12H,2H2,1H3/b19-17-.
What are the key properties of 3-ethyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine?
3-ethyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 298.39 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 5245414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).