methyl 4-amino-5-[(E)-2-thiophen-2-ylethenyl]thiophene-2-carboxylate

C12H11NO2S2 — CID 901549

IUPACmethyl 4-amino-5-[(E)-2-thiophen-2-ylethenyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(N)c(/C=C/c2cccs2)s1
InChIInChI=1S/C12H11NO2S2/c1-15-12(14)11-7-9(13)10(17-11)5-4-8-3-2-6-16-8/h2-7H,13H2,1H3/b5-4+
InChIKeyYYYIQNASABNYCX-SNAWJCMRSA-N
MW265.36 g/mol
LogP3.35
Rot. Bonds3

About methyl 4-amino-5-[(E)-2-thiophen-2-ylethenyl]thiophene-2-carboxylate

methyl 4-amino-5-[(E)-2-thiophen-2-ylethenyl]thiophene-2-carboxylate (PubChem CID 901549) has the molecular formula C12H11NO2S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is methyl 4-amino-5-[(E)-2-thiophen-2-ylethenyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-[(E)-2-thiophen-2-ylethenyl]thiophene-2-carboxylate
PubChem CID901549
Molecular FormulaC12H11NO2S2
Molecular Weight265.36 g/mol
Exact Mass265.02
IUPAC Namemethyl 4-amino-5-[(E)-2-thiophen-2-ylethenyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(N)c(/C=C/c2cccs2)s1
InChIInChI=1S/C12H11NO2S2/c1-15-12(14)11-7-9(13)10(17-11)5-4-8-3-2-6-16-8/h2-7H,13H2,1H3/b5-4+
InChIKeyYYYIQNASABNYCX-SNAWJCMRSA-N
XLogP3.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_E(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-[(E)-2-thiophen-2-ylethenyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-amino-5-[(E)-2-thiophen-2-ylethenyl]thiophene-2-carboxylate (CID 901549) is methyl 4-amino-5-[(E)-2-thiophen-2-ylethenyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-amino-5-[(E)-2-thiophen-2-ylethenyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-amino-5-[(E)-2-thiophen-2-ylethenyl]thiophene-2-carboxylate is COC(=O)c1cc(N)c(/C=C/c2cccs2)s1.
What is the InChIKey of methyl 4-amino-5-[(E)-2-thiophen-2-ylethenyl]thiophene-2-carboxylate?
The InChIKey is YYYIQNASABNYCX-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H11NO2S2/c1-15-12(14)11-7-9(13)10(17-11)5-4-8-3-2-6-16-8/h2-7H,13H2,1H3/b5-4+.
What are the key properties of methyl 4-amino-5-[(E)-2-thiophen-2-ylethenyl]thiophene-2-carboxylate?
methyl 4-amino-5-[(E)-2-thiophen-2-ylethenyl]thiophene-2-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-[(E)-2-thiophen-2-ylethenyl]thiophene-2-carboxylate is sourced from PubChem (CID 901549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).