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

C19H27N3OS — CID 58214440

IUPACN'-[4-[(5-tert-butyl-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2ncc(C(C)(C)C)s2)cc1C
InChIInChI=1S/C19H27N3OS/c1-8-22(7)12-21-15-9-14(3)16(10-13(15)2)23-18-20-11-17(24-18)19(4,5)6/h9-12H,8H2,1-7H3/b21-12+
InChIKeyNYEANNIHABCSLD-CIAFOILYSA-N
MW345.51 g/mol
LogP5.46
Rot. Bonds5

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

N'-[4-[(5-tert-butyl-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 58214440) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is N'-[4-[(5-tert-butyl-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[(5-tert-butyl-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID58214440
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC NameN'-[4-[(5-tert-butyl-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2ncc(C(C)(C)C)s2)cc1C
InChIInChI=1S/C19H27N3OS/c1-8-22(7)12-21-15-9-14(3)16(10-13(15)2)23-18-20-11-17(24-18)19(4,5)6/h9-12H,8H2,1-7H3/b21-12+
InChIKeyNYEANNIHABCSLD-CIAFOILYSA-N
XLogP5.46
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.51
LogP ≤ 55.46
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-[(5-tert-butyl-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[(5-tert-butyl-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 58214440) is N'-[4-[(5-tert-butyl-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[(5-tert-butyl-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[(5-tert-butyl-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Oc2ncc(C(C)(C)C)s2)cc1C.
What is the InChIKey of N'-[4-[(5-tert-butyl-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is NYEANNIHABCSLD-CIAFOILYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-8-22(7)12-21-15-9-14(3)16(10-13(15)2)23-18-20-11-17(24-18)19(4,5)6/h9-12H,8H2,1-7H3/b21-12+.
What are the key properties of N'-[4-[(5-tert-butyl-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[(5-tert-butyl-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 345.51 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(5-tert-butyl-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 58214440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).