N'-[2,5-dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)oxy]phenyl]-N-ethyl-N-methylmethanimidamide

C21H23N3OS — CID 58214453

IUPACN'-[2,5-dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)oxy]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2nc(-c3ccccc3)cs2)cc1C
InChIInChI=1S/C21H23N3OS/c1-5-24(4)14-22-18-11-16(3)20(12-15(18)2)25-21-23-19(13-26-21)17-9-7-6-8-10-17/h6-14H,5H2,1-4H3/b22-14+
InChIKeyIRFQMHIBWXITSO-HYARGMPZSA-N
MW365.50 g/mol
LogP5.83
Rot. Bonds6

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

N'-[2,5-dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)oxy]phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 58214453) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N'-[2,5-dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)oxy]phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2,5-dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)oxy]phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID58214453
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN'-[2,5-dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)oxy]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2nc(-c3ccccc3)cs2)cc1C
InChIInChI=1S/C21H23N3OS/c1-5-24(4)14-22-18-11-16(3)20(12-15(18)2)25-21-23-19(13-26-21)17-9-7-6-8-10-17/h6-14H,5H2,1-4H3/b22-14+
InChIKeyIRFQMHIBWXITSO-HYARGMPZSA-N
XLogP5.83
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.83
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'}

Analyze N'-[2,5-dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)oxy]phenyl]-N-ethyl-N-methylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)oxy]phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2,5-dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)oxy]phenyl]-N-ethyl-N-methylmethanimidamide (CID 58214453) is N'-[2,5-dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)oxy]phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2,5-dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)oxy]phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2,5-dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)oxy]phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Oc2nc(-c3ccccc3)cs2)cc1C.
What is the InChIKey of N'-[2,5-dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)oxy]phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is IRFQMHIBWXITSO-HYARGMPZSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-5-24(4)14-22-18-11-16(3)20(12-15(18)2)25-21-23-19(13-26-21)17-9-7-6-8-10-17/h6-14H,5H2,1-4H3/b22-14+.
What are the key properties of N'-[2,5-dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)oxy]phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2,5-dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)oxy]phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 365.50 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)oxy]phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 58214453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).