methyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate

C13H15NO2S2 — CID 82028184

IUPACmethyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate
SMILESCOC(=O)c1c(N)sc(C(C)C)c1-c1cccs1
InChIInChI=1S/C13H15NO2S2/c1-7(2)11-9(8-5-4-6-17-8)10(12(14)18-11)13(15)16-3/h4-7H,14H2,1-3H3
InChIKeyHGESDOVSEWAVEK-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.97
Rot. Bonds3

About methyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate

methyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate (PubChem CID 82028184) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is methyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate
PubChem CID82028184
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC Namemethyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate
SMILESCOC(=O)c1c(N)sc(C(C)C)c1-c1cccs1
InChIInChI=1S/C13H15NO2S2/c1-7(2)11-9(8-5-4-6-17-8)10(12(14)18-11)13(15)16-3/h4-7H,14H2,1-3H3
InChIKeyHGESDOVSEWAVEK-UHFFFAOYSA-N
XLogP3.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-5-[(4-ethylpiperazin-1-yl)methyl]-4-thiophen-2-ylthiophene-3-carboxylate
CID 39079738
dimethyl 3,4-dithiophen-2-yl-1H-pyrrole-2,5-dicarboxylate
CID 102258239
1-O-ethyl 4-O-methyl 2,5-difluoro-3,6-dithiophen-2-ylbenzene-1,4-dicarboxylate
CID 146424255
methyl 2-hydroxy-6-thiophen-2-ylbenzoate
CID 15679686
dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate
CID 11098312
methyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate
CID 167489425
methyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate
CID 139645960
methyl 8,9-dimethoxy-2,2-dimethyl-6-thiophen-2-ylbenzo[h]chromene-5-carboxylate
CID 102397164
methyl 5-cyano-6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carboxylate
CID 23911303
2-methylpropyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate
CID 82056962
dimethyl 5-thiophen-2-ylbenzene-1,3-dicarboxylate
CID 5323903
ethyl 2,5-dimethyl-4-thiophen-2-yl-1H-pyrrole-3-carboxylate
CID 13380754

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate (CID 82028184) is methyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate is COC(=O)c1c(N)sc(C(C)C)c1-c1cccs1.
What is the InChIKey of methyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate?
The InChIKey is HGESDOVSEWAVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-7(2)11-9(8-5-4-6-17-8)10(12(14)18-11)13(15)16-3/h4-7H,14H2,1-3H3.
What are the key properties of methyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate?
methyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 82028184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).