ethyl 6-(1-hydroxyethyl)-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate

C13H17NO3S — CID 58386857

IUPACethyl 6-(1-hydroxyethyl)-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1c(C(C)O)c2sc(C)cc2n1C
InChIInChI=1S/C13H17NO3S/c1-5-17-13(16)11-10(8(3)15)12-9(14(11)4)6-7(2)18-12/h6,8,15H,5H2,1-4H3
InChIKeyIVLSTTPZLZOYBV-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.78
Rot. Bonds3

About ethyl 6-(1-hydroxyethyl)-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate

ethyl 6-(1-hydroxyethyl)-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 58386857) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is ethyl 6-(1-hydroxyethyl)-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-(1-hydroxyethyl)-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate
PubChem CID58386857
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Nameethyl 6-(1-hydroxyethyl)-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1c(C(C)O)c2sc(C)cc2n1C
InChIInChI=1S/C13H17NO3S/c1-5-17-13(16)11-10(8(3)15)12-9(14(11)4)6-7(2)18-12/h6,8,15H,5H2,1-4H3
InChIKeyIVLSTTPZLZOYBV-UHFFFAOYSA-N
XLogP2.78
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate
CID 19843279
ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 1438948
ethyl 2-(4,7-dimethyl-9-oxo-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)propanoate
CID 16670258
ethyl 6-bromo-4-[(4-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 1448061
ethyl 6-amino-3-fluoro-1-methylindole-2-carboxylate
CID 83853717
ethane;ethyl 1,3,5-trimethylpyrrole-2-carboxylate
CID 155705747
ethyl 2-methyl-4-phenacylthieno[3,2-b]pyrrole-5-carboxylate
CID 1438939
ethyl 5-iodo-3-methyltriazole-4-carboxylate
CID 90298564
ethane;ethyl 1,3-dimethylindole-2-carboxylate
CID 90852450
ethyl 1-methyl-2-sulfanylidene-3H-benzimidazole-5-carboxylate
CID 20813308
ethyl 1-methyl-2-oxoquinoline-7-carboxylate
CID 121231685
ethyl 3-methoxy-1-methylindole-2-carboxylate
CID 12619890

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(1-hydroxyethyl)-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 6-(1-hydroxyethyl)-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate (CID 58386857) is ethyl 6-(1-hydroxyethyl)-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 6-(1-hydroxyethyl)-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 6-(1-hydroxyethyl)-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1c(C(C)O)c2sc(C)cc2n1C.
What is the InChIKey of ethyl 6-(1-hydroxyethyl)-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is IVLSTTPZLZOYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-5-17-13(16)11-10(8(3)15)12-9(14(11)4)6-7(2)18-12/h6,8,15H,5H2,1-4H3.
What are the key properties of ethyl 6-(1-hydroxyethyl)-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate?
ethyl 6-(1-hydroxyethyl)-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 267.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(1-hydroxyethyl)-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 58386857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).