4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine

C19H17FN4S — CID 23963655

IUPAC4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccccc2F)n1N=C(C)c1ccncc1
InChIInChI=1S/C19H17FN4S/c1-3-10-22-19-24(23-14(2)15-8-11-21-12-9-15)18(13-25-19)16-6-4-5-7-17(16)20/h3-9,11-13H,1,10H2,2H3/b22-19-,23-14?
InChIKeyAPOLYIQAEANLSM-MBJLOLLFSA-N
MW352.44 g/mol
LogP4.11
Rot. Bonds5

About 4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine

4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23963655) has the molecular formula C19H17FN4S and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine
PubChem CID23963655
Molecular FormulaC19H17FN4S
Molecular Weight352.44 g/mol
Exact Mass352.12
IUPAC Name4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccccc2F)n1N=C(C)c1ccncc1
InChIInChI=1S/C19H17FN4S/c1-3-10-22-19-24(23-14(2)15-8-11-21-12-9-15)18(13-25-19)16-6-4-5-7-17(16)20/h3-9,11-13H,1,10H2,2H3/b22-19-,23-14?
InChIKeyAPOLYIQAEANLSM-MBJLOLLFSA-N
XLogP4.11
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[N-[4-(2-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol
CID 135765759
4-(2-fluorophenyl)-N-methyl-3-[1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-imine
CID 23962062
3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23911393
N-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine
CID 23878605
4-(2-fluorophenyl)-3-[1-(3-fluorophenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23882903
3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23932545
3-[1-(4-fluorophenyl)ethylideneamino]-N-prop-2-enyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23990270
4-naphthalen-1-yl-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23823524
3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 23934376
4-[C-methyl-N-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)carbonimidoyl]benzene-1,3-diol
CID 135770844
4-phenyl-3-(4-phenylbutan-2-ylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23733179
3-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 4040379

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine (CID 23963655) is 4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2ccccc2F)n1N=C(C)c1ccncc1.
What is the InChIKey of 4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is APOLYIQAEANLSM-MBJLOLLFSA-N. The full InChI is InChI=1S/C19H17FN4S/c1-3-10-22-19-24(23-14(2)15-8-11-21-12-9-15)18(13-25-19)16-6-4-5-7-17(16)20/h3-9,11-13H,1,10H2,2H3/b22-19-,23-14?.
What are the key properties of 4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine?
4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 352.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23963655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).