N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C17H10Cl2F3N3S — CID 168577370

IUPACN-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(Cl)c(C=NNc2nc(-c3ccccc3)cs2)c1Cl
InChIInChI=1S/C17H10Cl2F3N3S/c18-13-7-6-12(17(20,21)22)15(19)11(13)8-23-25-16-24-14(9-26-16)10-4-2-1-3-5-10/h1-9H,(H,24,25)
InChIKeyQIEOXQVCBPHELM-UHFFFAOYSA-N
MW416.26 g/mol
LogP6.58
Rot. Bonds4

About N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168577370) has the molecular formula C17H10Cl2F3N3S and a molecular weight of 416.26 g/mol. Its IUPAC name is N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168577370
Molecular FormulaC17H10Cl2F3N3S
Molecular Weight416.26 g/mol
Exact Mass414.99
IUPAC NameN-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(Cl)c(C=NNc2nc(-c3ccccc3)cs2)c1Cl
InChIInChI=1S/C17H10Cl2F3N3S/c18-13-7-6-12(17(20,21)22)15(19)11(13)8-23-25-16-24-14(9-26-16)10-4-2-1-3-5-10/h1-9H,(H,24,25)
InChIKeyQIEOXQVCBPHELM-UHFFFAOYSA-N
XLogP6.58
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.26
LogP ≤ 56.58
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

N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617137
N-[[6-bromo-2-fluoro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578213
N-[[4-iodo-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577579
N-[[3-iodo-5-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578036
N-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577585
N-[[3-fluoro-2-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578030
N-[(3-chloro-2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576673
N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578202
N-[(3-chloro-4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577116
4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577659
N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577753
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 42336365

Frequently Asked Questions

What is the IUPAC name of N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168577370) is N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is FC(F)(F)c1ccc(Cl)c(C=NNc2nc(-c3ccccc3)cs2)c1Cl.
What is the InChIKey of N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is QIEOXQVCBPHELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3N3S/c18-13-7-6-12(17(20,21)22)15(19)11(13)8-23-25-16-24-14(9-26-16)10-4-2-1-3-5-10/h1-9H,(H,24,25).
What are the key properties of N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 416.26 g/mol, XLogP of 6.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168577370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).