N'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide

C9H14N2OS — CID 63181895

IUPACN'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide
SMILESCOCC/N=C(\N)Cc1cccs1
InChIInChI=1S/C9H14N2OS/c1-12-5-4-11-9(10)7-8-3-2-6-13-8/h2-3,6H,4-5,7H2,1H3,(H2,10,11)
InChIKeyFMUOCTBOQKJIBE-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.29
Rot. Bonds5

About N'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide

N'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide (PubChem CID 63181895) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide
PubChem CID63181895
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide
SMILESCOCC/N=C(\N)Cc1cccs1
InChIInChI=1S/C9H14N2OS/c1-12-5-4-11-9(10)7-8-3-2-6-13-8/h2-3,6H,4-5,7H2,1H3,(H2,10,11)
InChIKeyFMUOCTBOQKJIBE-UHFFFAOYSA-N
XLogP1.29
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-2-thiophen-2-ylethanimidamide
CID 63181752
3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine
CID 116515816
2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 63182134
N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide
CID 77005818
2-(methoxymethyl)thiophene
CID 10240820
1-ethyl-3-(3-methoxypropyl)-2-(thiophen-2-ylmethyl)guanidine
CID 110974619
3-amino-3-methyl-1-thiophen-2-ylbutan-2-one
CID 57051031
2-(8-methoxyoctyl)thiophene
CID 139537837
1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine
CID 111351434
5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-one
CID 105088730
(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine
CID 94868216
3-[[N'-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 75423246

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide?
The IUPAC name of N'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide (CID 63181895) is N'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide.
What is the SMILES notation for N'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide?
The canonical SMILES for N'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide is COCC/N=C(\N)Cc1cccs1.
What is the InChIKey of N'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide?
The InChIKey is FMUOCTBOQKJIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-12-5-4-11-9(10)7-8-3-2-6-13-8/h2-3,6H,4-5,7H2,1H3,(H2,10,11).
What are the key properties of N'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide?
N'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide has a molecular weight of 198.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide is sourced from PubChem (CID 63181895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).