4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine

C16H11BrFN3S — CID 2787633

IUPAC4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESFc1cccc(C=NNc2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C16H11BrFN3S/c17-13-6-4-12(5-7-13)15-10-22-16(20-15)21-19-9-11-2-1-3-14(18)8-11/h1-10H,(H,20,21)
InChIKeySBALSRIRXGFUBA-UHFFFAOYSA-N
MW376.25 g/mol
LogP5.16
Rot. Bonds4

About 4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine

4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 2787633) has the molecular formula C16H11BrFN3S and a molecular weight of 376.25 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID2787633
Molecular FormulaC16H11BrFN3S
Molecular Weight376.25 g/mol
Exact Mass374.98
IUPAC Name4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESFc1cccc(C=NNc2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C16H11BrFN3S/c17-13-6-4-12(5-7-13)15-10-22-16(20-15)21-19-9-11-2-1-3-14(18)8-11/h1-10H,(H,20,21)
InChIKeySBALSRIRXGFUBA-UHFFFAOYSA-N
XLogP5.16
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.25
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 4874212
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
4-(4-bromophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6291023
4-(4-bromophenyl)-N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 1184402
4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 17132316
4-bromo-2-[(Z)-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 137122821
N-[(Z)-(4-bromophenyl)methylideneamino]-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110533321
N-[(3-fluoro-5-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577384
4-(4-bromophenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 22308276
2-(4-bromophenyl)-N-[(E)-(3-fluorophenyl)methylideneamino]-6-phenylpyrimidin-4-amine
CID 5338828
N-[[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576988
N-[(3-methylsulfanylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577310

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine (CID 2787633) is 4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine is Fc1cccc(C=NNc2nc(-c3ccc(Br)cc3)cs2)c1.
What is the InChIKey of 4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is SBALSRIRXGFUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3S/c17-13-6-4-12(5-7-13)15-10-22-16(20-15)21-19-9-11-2-1-3-14(18)8-11/h1-10H,(H,20,21).
What are the key properties of 4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 376.25 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 2787633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).