2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine

C13H14N2O2S2 — CID 80740331

IUPAC2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1coc(-c2cc3sccc3s2)n1
InChIInChI=1S/C13H14N2O2S2/c1-16-4-3-14-7-9-8-17-13(15-9)12-6-11-10(19-12)2-5-18-11/h2,5-6,8,14H,3-4,7H2,1H3
InChIKeyIACHNWXKNBRDJA-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.35
Rot. Bonds6

About 2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine

2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine (PubChem CID 80740331) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine
PubChem CID80740331
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1coc(-c2cc3sccc3s2)n1
InChIInChI=1S/C13H14N2O2S2/c1-16-4-3-14-7-9-8-17-13(15-9)12-6-11-10(19-12)2-5-18-11/h2,5-6,8,14H,3-4,7H2,1H3
InChIKeyIACHNWXKNBRDJA-UHFFFAOYSA-N
XLogP3.35
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 60671128
N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65288355
N-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65287872
2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 119698131
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 60727772
N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 114376121
2-methoxy-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 65288455
N-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 81487721
1-(2-methoxyethyl)-2-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 110940049
N-[[2-(4-bromo-3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65293278
N-[[2-(3-bromo-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65287971
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65288161

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine (CID 80740331) is 2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine is COCCNCc1coc(-c2cc3sccc3s2)n1.
What is the InChIKey of 2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The InChIKey is IACHNWXKNBRDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-16-4-3-14-7-9-8-17-13(15-9)12-6-11-10(19-12)2-5-18-11/h2,5-6,8,14H,3-4,7H2,1H3.
What are the key properties of 2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine?
2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine has a molecular weight of 294.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 80740331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).