4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine

C22H15F3N4S — CID 168577659

IUPAC4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccnc1-c1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H15F3N4S/c23-22(24,25)18-7-4-12-26-20(18)17-10-8-15(9-11-17)13-27-29-21-28-19(14-30-21)16-5-2-1-3-6-16/h1-14H,(H,28,29)
InChIKeyAWKAIZPIHLKGHG-UHFFFAOYSA-N
MW424.45 g/mol
LogP6.34
Rot. Bonds5

About 4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine

4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168577659) has the molecular formula C22H15F3N4S and a molecular weight of 424.45 g/mol. Its IUPAC name is 4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID168577659
Molecular FormulaC22H15F3N4S
Molecular Weight424.45 g/mol
Exact Mass424.10
IUPAC Name4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccnc1-c1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H15F3N4S/c23-22(24,25)18-7-4-12-26-20(18)17-10-8-15(9-11-17)13-27-29-21-28-19(14-30-21)16-5-2-1-3-6-16/h1-14H,(H,28,29)
InChIKeyAWKAIZPIHLKGHG-UHFFFAOYSA-N
XLogP6.34
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.45
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[[4-iodo-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577579
4-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577559
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
4-phenyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577407
N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579078
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
N-[[3-iodo-5-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578036
4-[2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 169091862
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168576674
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
N-[[4-(3-fluoropropoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577436

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 168577659) is 4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine is FC(F)(F)c1cccnc1-c1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is AWKAIZPIHLKGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4S/c23-22(24,25)18-7-4-12-26-20(18)17-10-8-15(9-11-17)13-27-29-21-28-19(14-30-21)16-5-2-1-3-6-16/h1-14H,(H,28,29).
What are the key properties of 4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 424.45 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168577659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).