4-(2-fluorophenyl)-N-methyl-3-[1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-imine

C19H18FN3S — CID 23962062

IUPAC4-(2-fluorophenyl)-N-methyl-3-[1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2F)n1N=C(C)c1ccc(C)cc1
InChIInChI=1S/C19H18FN3S/c1-13-8-10-15(11-9-13)14(2)22-23-18(12-24-19(23)21-3)16-6-4-5-7-17(16)20/h4-12H,1-3H3/b21-19-,22-14?
InChIKeyMFSPVYMGWHRPQN-XFPNFMLJSA-N
MW339.44 g/mol
LogP4.47
Rot. Bonds3

About 4-(2-fluorophenyl)-N-methyl-3-[1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-imine

4-(2-fluorophenyl)-N-methyl-3-[1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-imine (PubChem CID 23962062) has the molecular formula C19H18FN3S and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-methyl-3-[1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-methyl-3-[1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-imine
PubChem CID23962062
Molecular FormulaC19H18FN3S
Molecular Weight339.44 g/mol
Exact Mass339.12
IUPAC Name4-(2-fluorophenyl)-N-methyl-3-[1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2F)n1N=C(C)c1ccc(C)cc1
InChIInChI=1S/C19H18FN3S/c1-13-8-10-15(11-9-13)14(2)22-23-18(12-24-19(23)21-3)16-6-4-5-7-17(16)20/h4-12H,1-3H3/b21-19-,22-14?
InChIKeyMFSPVYMGWHRPQN-XFPNFMLJSA-N
XLogP4.47
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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)-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-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 23934376
4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol
CID 135681328
4-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol
CID 135720820
N-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine
CID 23936914
4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine
CID 23963655
4-(2-fluorophenyl)-N,3-dimethyl-1,3-thiazol-2-imine
CID 2438099
3-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 4040379
3-[(2,6-difluorophenyl)methylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 45115437
3-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-(2-bromophenyl)-N-methyl-1,3-thiazol-2-imine
CID 23770546
N-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine
CID 23878605

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-methyl-3-[1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of 4-(2-fluorophenyl)-N-methyl-3-[1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-imine (CID 23962062) is 4-(2-fluorophenyl)-N-methyl-3-[1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2-fluorophenyl)-N-methyl-3-[1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2-fluorophenyl)-N-methyl-3-[1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccccc2F)n1N=C(C)c1ccc(C)cc1.
What is the InChIKey of 4-(2-fluorophenyl)-N-methyl-3-[1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is MFSPVYMGWHRPQN-XFPNFMLJSA-N. The full InChI is InChI=1S/C19H18FN3S/c1-13-8-10-15(11-9-13)14(2)22-23-18(12-24-19(23)21-3)16-6-4-5-7-17(16)20/h4-12H,1-3H3/b21-19-,22-14?.
What are the key properties of 4-(2-fluorophenyl)-N-methyl-3-[1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-imine?
4-(2-fluorophenyl)-N-methyl-3-[1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 339.44 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-methyl-3-[1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 23962062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).