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

C14H14N4O2S2 — CID 76889666

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]ethanimidamide
SMILESCc1nc(CC(N)=NOCc2coc(-c3cccs3)n2)cs1
InChIInChI=1S/C14H14N4O2S2/c1-9-16-10(8-22-9)5-13(15)18-20-7-11-6-19-14(17-11)12-3-2-4-21-12/h2-4,6,8H,5,7H2,1H3,(H2,15,18)
InChIKeyKWLLBVBWXUEIOQ-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.20
Rot. Bonds6

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

2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]ethanimidamide (PubChem CID 76889666) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]ethanimidamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]ethanimidamide
PubChem CID76889666
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]ethanimidamide
SMILESCc1nc(CC(N)=NOCc2coc(-c3cccs3)n2)cs1
InChIInChI=1S/C14H14N4O2S2/c1-9-16-10(8-22-9)5-13(15)18-20-7-11-6-19-14(17-11)12-3-2-4-21-12/h2-4,6,8H,5,7H2,1H3,(H2,15,18)
InChIKeyKWLLBVBWXUEIOQ-UHFFFAOYSA-N
XLogP3.20
TPSA86.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

N'-[(3,4-dichlorophenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 75268261
N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 76889668
N'-[(3,5-dimethylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 76870733
2-phenylmethoxy-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzenecarboximidamide
CID 56500734
N'-[(4-tert-butylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 76889643
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 109424777
2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 7642230
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 18279947
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8618160
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-naphthalen-1-ylacetate
CID 7782747
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]ethanimidamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]ethanimidamide (CID 76889666) is 2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]ethanimidamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]ethanimidamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]ethanimidamide is Cc1nc(CC(N)=NOCc2coc(-c3cccs3)n2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]ethanimidamide?
The InChIKey is KWLLBVBWXUEIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-9-16-10(8-22-9)5-13(15)18-20-7-11-6-19-14(17-11)12-3-2-4-21-12/h2-4,6,8H,5,7H2,1H3,(H2,15,18).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]ethanimidamide?
2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]ethanimidamide has a molecular weight of 334.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]ethanimidamide is sourced from PubChem (CID 76889666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).