N-methyl-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine

C18H14F3N3S — CID 2383492

IUPACN-methyl-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2)n1N=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3S/c1-22-17-24(16(12-25-17)14-7-3-2-4-8-14)23-11-13-6-5-9-15(10-13)18(19,20)21/h2-12H,1H3/b22-17-,23-11?
InChIKeyHOGLNDQVCRVSNC-BPXFADMZSA-N
MW361.39 g/mol
LogP4.65
Rot. Bonds3

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

N-methyl-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine (PubChem CID 2383492) has the molecular formula C18H14F3N3S and a molecular weight of 361.39 g/mol. Its IUPAC name is N-methyl-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-methyl-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
PubChem CID2383492
Molecular FormulaC18H14F3N3S
Molecular Weight361.39 g/mol
Exact Mass361.09
IUPAC NameN-methyl-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2)n1N=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3S/c1-22-17-24(16(12-25-17)14-7-3-2-4-8-14)23-11-13-6-5-9-15(10-13)18(19,20)21/h2-12H,1H3/b22-17-,23-11?
InChIKeyHOGLNDQVCRVSNC-BPXFADMZSA-N
XLogP4.65
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of N-methyl-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine (CID 2383492) is N-methyl-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for N-methyl-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for N-methyl-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccccc2)n1N=Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is HOGLNDQVCRVSNC-BPXFADMZSA-N. The full InChI is InChI=1S/C18H14F3N3S/c1-22-17-24(16(12-25-17)14-7-3-2-4-8-14)23-11-13-6-5-9-15(10-13)18(19,20)21/h2-12H,1H3/b22-17-,23-11?.
What are the key properties of N-methyl-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
N-methyl-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 361.39 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 2383492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).