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

C17H12F3N3S2 — CID 168577407

IUPAC4-phenyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESFC(F)(F)Sc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C17H12F3N3S2/c18-17(19,20)25-14-8-6-12(7-9-14)10-21-23-16-22-15(11-24-16)13-4-2-1-3-5-13/h1-11H,(H,22,23)
InChIKeyCCOFCOVZIKGLPP-UHFFFAOYSA-N
MW379.43 g/mol
LogP5.87
Rot. Bonds5

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

4-phenyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168577407) has the molecular formula C17H12F3N3S2 and a molecular weight of 379.43 g/mol. Its IUPAC name is 4-phenyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID168577407
Molecular FormulaC17H12F3N3S2
Molecular Weight379.43 g/mol
Exact Mass379.04
IUPAC Name4-phenyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESFC(F)(F)Sc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C17H12F3N3S2/c18-17(19,20)25-14-8-6-12(7-9-14)10-21-23-16-22-15(11-24-16)13-4-2-1-3-5-13/h1-11H,(H,22,23)
InChIKeyCCOFCOVZIKGLPP-UHFFFAOYSA-N
XLogP5.87
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.43
LogP ≤ 55.87
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-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
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
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168576674
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
4-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577559
N-[[4-iodo-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577579
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577659
N-[[3-iodo-5-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578036
4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 7822015
N-[(3-chloro-4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577116

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 168577407) is 4-phenyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]-1,3-thiazol-2-amine is FC(F)(F)Sc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-phenyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is CCOFCOVZIKGLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3S2/c18-17(19,20)25-14-8-6-12(7-9-14)10-21-23-16-22-15(11-24-16)13-4-2-1-3-5-13/h1-11H,(H,22,23).
What are the key properties of 4-phenyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
4-phenyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 379.43 g/mol, XLogP of 5.87, 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-(trifluoromethylsulfanyl)phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168577407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).