acetic acid;2-thiophen-3-ylethanimidamide

C8H12N2O2S — CID 122460781

IUPACacetic acid;2-thiophen-3-ylethanimidamide
SMILESCC(=O)O.[H]/N=C(\N)Cc1ccsc1
InChIInChI=1S/C6H8N2S.C2H4O2/c7-6(8)3-5-1-2-9-4-5;1-2(3)4/h1-2,4H,3H2,(H3,7,8);1H3,(H,3,4)
InChIKeyJRQIXMMCPUUWIO-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.32
Rot. Bonds2

About acetic acid;2-thiophen-3-ylethanimidamide

acetic acid;2-thiophen-3-ylethanimidamide (PubChem CID 122460781) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is acetic acid;2-thiophen-3-ylethanimidamide.

Molecular Properties

Compound Nameacetic acid;2-thiophen-3-ylethanimidamide
PubChem CID122460781
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Nameacetic acid;2-thiophen-3-ylethanimidamide
SMILESCC(=O)O.[H]/N=C(\N)Cc1ccsc1
InChIInChI=1S/C6H8N2S.C2H4O2/c7-6(8)3-5-1-2-9-4-5;1-2(3)4/h1-2,4H,3H2,(H3,7,8);1H3,(H,3,4)
InChIKeyJRQIXMMCPUUWIO-UHFFFAOYSA-N
XLogP1.32
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetic acid;2-thiophen-3-ylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide
CID 43646216
3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide
CID 43528289
ethyl 2-thiophen-3-ylethanimidate;hydrochloride
CID 23355011
2-phenylethanimidamide
CID 27787
sodium 2-oxo-3-thiophen-3-ylpropanoate
CID 59933677
4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one
CID 116600113
S-(thiophen-3-ylmethyl) ethanethioate
CID 54410946
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292
2-thiophen-3-ylethyl carbamimidothioate
CID 65211727
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
N,N-diethyl-2-thiophen-3-ylacetamide
CID 60635955
N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 62967035

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-thiophen-3-ylethanimidamide?
The IUPAC name of acetic acid;2-thiophen-3-ylethanimidamide (CID 122460781) is acetic acid;2-thiophen-3-ylethanimidamide.
What is the SMILES notation for acetic acid;2-thiophen-3-ylethanimidamide?
The canonical SMILES for acetic acid;2-thiophen-3-ylethanimidamide is CC(=O)O.[H]/N=C(\N)Cc1ccsc1.
What is the InChIKey of acetic acid;2-thiophen-3-ylethanimidamide?
The InChIKey is JRQIXMMCPUUWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S.C2H4O2/c7-6(8)3-5-1-2-9-4-5;1-2(3)4/h1-2,4H,3H2,(H3,7,8);1H3,(H,3,4).
What are the key properties of acetic acid;2-thiophen-3-ylethanimidamide?
acetic acid;2-thiophen-3-ylethanimidamide has a molecular weight of 200.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-thiophen-3-ylethanimidamide is sourced from PubChem (CID 122460781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).