ethyl 2-thiophen-3-ylethanimidate;hydrochloride

C8H12ClNOS — CID 23355011

IUPACethyl 2-thiophen-3-ylethanimidate;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccsc1)OCC
InChIInChI=1S/C8H11NOS.ClH/c1-2-10-8(9)5-7-3-4-11-6-7;/h3-4,6,9H,2,5H2,1H3;1H/b9-8-;
InChIKeyXWCLYXOMBGMKCJ-UOQXYWCXSA-N
MW205.71 g/mol
LogP2.73
Rot. Bonds3

About ethyl 2-thiophen-3-ylethanimidate;hydrochloride

ethyl 2-thiophen-3-ylethanimidate;hydrochloride (PubChem CID 23355011) has the molecular formula C8H12ClNOS and a molecular weight of 205.71 g/mol. Its IUPAC name is ethyl 2-thiophen-3-ylethanimidate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-thiophen-3-ylethanimidate;hydrochloride
PubChem CID23355011
Molecular FormulaC8H12ClNOS
Molecular Weight205.71 g/mol
Exact Mass205.03
IUPAC Nameethyl 2-thiophen-3-ylethanimidate;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccsc1)OCC
InChIInChI=1S/C8H11NOS.ClH/c1-2-10-8(9)5-7-3-4-11-6-7;/h3-4,6,9H,2,5H2,1H3;1H/b9-8-;
InChIKeyXWCLYXOMBGMKCJ-UOQXYWCXSA-N
XLogP2.73
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-thiophen-3-ylethanimidamide
CID 122460781
3-amino-4-methoxy-1-thiophen-3-ylbutan-2-one
CID 116594135
N,N-diethyl-2-thiophen-3-ylacetamide
CID 60635955
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4668327
2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide
CID 43646216
ethyl 2,2-dimethyl-3-thiophen-3-ylpropanoate
CID 176838352
N-methyl-N-(thiophen-3-ylmethyl)propanimidamide
CID 63175468
ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate
CID 110183706
ethyl (2R)-2-amino-3-(thiophen-3-ylmethylsulfanyl)propanoate;hydrochloride
CID 70050788
thiophen-3-ylmethanamine;dihydrochloride
CID 21114568
3-ethoxy-4-methyl-1-thiophen-3-ylpentan-2-one
CID 116708767
3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide
CID 43528289

Frequently Asked Questions

What is the IUPAC name of ethyl 2-thiophen-3-ylethanimidate;hydrochloride?
The IUPAC name of ethyl 2-thiophen-3-ylethanimidate;hydrochloride (CID 23355011) is ethyl 2-thiophen-3-ylethanimidate;hydrochloride.
What is the SMILES notation for ethyl 2-thiophen-3-ylethanimidate;hydrochloride?
The canonical SMILES for ethyl 2-thiophen-3-ylethanimidate;hydrochloride is Cl.[H]/N=C(/Cc1ccsc1)OCC.
What is the InChIKey of ethyl 2-thiophen-3-ylethanimidate;hydrochloride?
The InChIKey is XWCLYXOMBGMKCJ-UOQXYWCXSA-N. The full InChI is InChI=1S/C8H11NOS.ClH/c1-2-10-8(9)5-7-3-4-11-6-7;/h3-4,6,9H,2,5H2,1H3;1H/b9-8-;.
What are the key properties of ethyl 2-thiophen-3-ylethanimidate;hydrochloride?
ethyl 2-thiophen-3-ylethanimidate;hydrochloride has a molecular weight of 205.71 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiophen-3-ylethanimidate;hydrochloride is sourced from PubChem (CID 23355011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).