2-(4-methyl-1,3-thiazol-2-yl)-N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]ethanimidamide

C16H16N4O2S — CID 126812144

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]ethanimidamide
SMILESCc1csc(CC(N)=NOCc2cc(-c3ccccc3)on2)n1
InChIInChI=1S/C16H16N4O2S/c1-11-10-23-16(18-11)8-15(17)20-21-9-13-7-14(22-19-13)12-5-3-2-4-6-12/h2-7,10H,8-9H2,1H3,(H2,17,20)
InChIKeyZSOJHZUYDDOYJY-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.14
Rot. Bonds6

About 2-(4-methyl-1,3-thiazol-2-yl)-N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]ethanimidamide

2-(4-methyl-1,3-thiazol-2-yl)-N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]ethanimidamide (PubChem CID 126812144) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]ethanimidamide.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]ethanimidamide
PubChem CID126812144
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]ethanimidamide
SMILESCc1csc(CC(N)=NOCc2cc(-c3ccccc3)on2)n1
InChIInChI=1S/C16H16N4O2S/c1-11-10-23-16(18-11)8-15(17)20-21-9-13-7-14(22-19-13)12-5-3-2-4-6-12/h2-7,10H,8-9H2,1H3,(H2,17,20)
InChIKeyZSOJHZUYDDOYJY-UHFFFAOYSA-N
XLogP3.14
TPSA86.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]ethanimidamide?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]ethanimidamide (CID 126812144) is 2-(4-methyl-1,3-thiazol-2-yl)-N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]ethanimidamide.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]ethanimidamide?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]ethanimidamide is Cc1csc(CC(N)=NOCc2cc(-c3ccccc3)on2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]ethanimidamide?
The InChIKey is ZSOJHZUYDDOYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-11-10-23-16(18-11)8-15(17)20-21-9-13-7-14(22-19-13)12-5-3-2-4-6-12/h2-7,10H,8-9H2,1H3,(H2,17,20).
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]ethanimidamide?
2-(4-methyl-1,3-thiazol-2-yl)-N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]ethanimidamide has a molecular weight of 328.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]ethanimidamide is sourced from PubChem (CID 126812144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).