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

C18H13F4N3S — CID 2342348

IUPAC4-(4-fluorophenyl)-N-methyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F4N3S/c1-23-17-25(16(11-26-17)13-5-7-15(19)8-6-13)24-10-12-3-2-4-14(9-12)18(20,21)22/h2-11H,1H3/b23-17-,24-10?
InChIKeyVYQXNEQWKGZZNL-TYOFJABNSA-N
MW379.38 g/mol
LogP4.79
Rot. Bonds3

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

4-(4-fluorophenyl)-N-methyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine (PubChem CID 2342348) has the molecular formula C18H13F4N3S and a molecular weight of 379.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-methyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-methyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
PubChem CID2342348
Molecular FormulaC18H13F4N3S
Molecular Weight379.38 g/mol
Exact Mass379.08
IUPAC Name4-(4-fluorophenyl)-N-methyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F4N3S/c1-23-17-25(16(11-26-17)13-5-7-15(19)8-6-13)24-10-12-3-2-4-14(9-12)18(20,21)22/h2-11H,1H3/b23-17-,24-10?
InChIKeyVYQXNEQWKGZZNL-TYOFJABNSA-N
XLogP4.79
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.79
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 4-(4-fluorophenyl)-N-methyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-fluorophenyl)-N-methyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine (CID 2342348) is 4-(4-fluorophenyl)-N-methyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-methyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-fluorophenyl)-N-methyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(4-fluorophenyl)-N-methyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is VYQXNEQWKGZZNL-TYOFJABNSA-N. The full InChI is InChI=1S/C18H13F4N3S/c1-23-17-25(16(11-26-17)13-5-7-15(19)8-6-13)24-10-12-3-2-4-14(9-12)18(20,21)22/h2-11H,1H3/b23-17-,24-10?.
What are the key properties of 4-(4-fluorophenyl)-N-methyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine?
4-(4-fluorophenyl)-N-methyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 379.38 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-methyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 2342348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).