N'-[4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide

C19H24F3N3OS — CID 66841033

IUPACN'-[4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C(F)(F)F)c(Oc2nc(C(C)(C)C)cs2)cc1C
InChIInChI=1S/C19H24F3N3OS/c1-7-25(6)11-23-14-9-13(19(20,21)22)15(8-12(14)2)26-17-24-16(10-27-17)18(3,4)5/h8-11H,7H2,1-6H3/b23-11+
InChIKeyVVRAEJRHMNHJDR-FOKLQQMPSA-N
MW399.48 g/mol
LogP6.17
Rot. Bonds5

About N'-[4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 66841033) has the molecular formula C19H24F3N3OS and a molecular weight of 399.48 g/mol. Its IUPAC name is N'-[4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID66841033
Molecular FormulaC19H24F3N3OS
Molecular Weight399.48 g/mol
Exact Mass399.16
IUPAC NameN'-[4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C(F)(F)F)c(Oc2nc(C(C)(C)C)cs2)cc1C
InChIInChI=1S/C19H24F3N3OS/c1-7-25(6)11-23-14-9-13(19(20,21)22)15(8-12(14)2)26-17-24-16(10-27-17)18(3,4)5/h8-11H,7H2,1-6H3/b23-11+
InChIKeyVVRAEJRHMNHJDR-FOKLQQMPSA-N
XLogP6.17
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.48
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide (CID 66841033) is N'-[4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C(F)(F)F)c(Oc2nc(C(C)(C)C)cs2)cc1C.
What is the InChIKey of N'-[4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is VVRAEJRHMNHJDR-FOKLQQMPSA-N. The full InChI is InChI=1S/C19H24F3N3OS/c1-7-25(6)11-23-14-9-13(19(20,21)22)15(8-12(14)2)26-17-24-16(10-27-17)18(3,4)5/h8-11H,7H2,1-6H3/b23-11+.
What are the key properties of N'-[4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 399.48 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 66841033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).