(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-5H-1,3-thiazol-2-imine

C16H12FN3S — CID 172943376

IUPAC(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-5H-1,3-thiazol-2-imine
SMILESFc1ccc(/C=N/N=C2/N=C(c3ccccc3)CS2)cc1
InChIInChI=1S/C16H12FN3S/c17-14-8-6-12(7-9-14)10-18-20-16-19-15(11-21-16)13-4-2-1-3-5-13/h1-10H,11H2/b18-10+,20-16-
InChIKeyMUVUEGIHJHTENF-PFTNRUMESA-N
MW297.36 g/mol
LogP3.75
Rot. Bonds3

About (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-5H-1,3-thiazol-2-imine

(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-5H-1,3-thiazol-2-imine (PubChem CID 172943376) has the molecular formula C16H12FN3S and a molecular weight of 297.36 g/mol. Its IUPAC name is (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-5H-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-5H-1,3-thiazol-2-imine
PubChem CID172943376
Molecular FormulaC16H12FN3S
Molecular Weight297.36 g/mol
Exact Mass297.07
IUPAC Name(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-5H-1,3-thiazol-2-imine
SMILESFc1ccc(/C=N/N=C2/N=C(c3ccccc3)CS2)cc1
InChIInChI=1S/C16H12FN3S/c17-14-8-6-12(7-9-14)10-18-20-16-19-15(11-21-16)13-4-2-1-3-5-13/h1-10H,11H2/b18-10+,20-16-
InChIKeyMUVUEGIHJHTENF-PFTNRUMESA-N
XLogP3.75
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-benzylideneamino]-2-[[4-(trifluoromethyl)phenyl]methyl]isothiourea
CID 71591153
Benzaldehyde 3-benzylisothiosemicarbazone
CID 9602279
4-(4-Fluorophenyl)-6-phenyl-2h-1,3-thiazin-2-amine
CID 134691423
5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
CID 139225339
5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine
CID 10988567
5-(4-fluorophenyl)-N-methyl-2,3-dihydro-1,4-thiazin-6-imine
CID 22944339
[2-[4-(2-fluorophenyl)phenyl]-2-iminoethyl] N'-methylcarbamimidothioate
CID 88999045
N-ethyl-5-(4-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135800633
2-[(4-fluorophenyl)methylsulfanyl]-4H-imidazole
CID 175985828
2-[(3-fluorophenyl)methylsulfanyl]-4H-imidazole
CID 175985840
2-[(2-fluorophenyl)methylsulfanyl]-4H-imidazole
CID 175985853
2-[(2,4-difluorophenyl)methylsulfanyl]-4H-imidazole
CID 175985866

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-5H-1,3-thiazol-2-imine?
The IUPAC name of (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-5H-1,3-thiazol-2-imine (CID 172943376) is (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-5H-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-5H-1,3-thiazol-2-imine?
The canonical SMILES for (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-5H-1,3-thiazol-2-imine is Fc1ccc(/C=N/N=C2/N=C(c3ccccc3)CS2)cc1.
What is the InChIKey of (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-5H-1,3-thiazol-2-imine?
The InChIKey is MUVUEGIHJHTENF-PFTNRUMESA-N. The full InChI is InChI=1S/C16H12FN3S/c17-14-8-6-12(7-9-14)10-18-20-16-19-15(11-21-16)13-4-2-1-3-5-13/h1-10H,11H2/b18-10+,20-16-.
What are the key properties of (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-5H-1,3-thiazol-2-imine?
(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-5H-1,3-thiazol-2-imine has a molecular weight of 297.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-5H-1,3-thiazol-2-imine is sourced from PubChem (CID 172943376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).