ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate

C10H11NO2S — CID 118913719

IUPACethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2ccsc2n1C
InChIInChI=1S/C10H11NO2S/c1-3-13-10(12)8-6-7-4-5-14-9(7)11(8)2/h4-6H,3H2,1-2H3
InChIKeyAPQJBKSVOPELRR-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.42
Rot. Bonds2

About ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate

ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate (PubChem CID 118913719) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate
PubChem CID118913719
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Nameethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2ccsc2n1C
InChIInChI=1S/C10H11NO2S/c1-3-13-10(12)8-6-7-4-5-14-9(7)11(8)2/h4-6H,3H2,1-2H3
InChIKeyAPQJBKSVOPELRR-UHFFFAOYSA-N
XLogP2.42
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Benzyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 649131
4-Isopropoxycarbonylmethyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 646834
4-(4-Cyano-benzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 646989
4-Ethoxycarbonylmethyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 650948
Ethyl 4-(1-ethoxy-1-oxopropan-2-yl)-2-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 656325
(2-Phenyl-1,3-thiazol-4-yl)methyl 1-methylpyrrole-2-carboxylate
CID 2091642
Methyl 6-[2-(3,5-dimethylanilino)-2-oxoethyl]-6H-thieno[2,3-B]pyrrole-5-carboxylate
CID 3236451
methyl 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6H-thieno[2,3-b]pyrrole-5-carboxylate
CID 3237232
Methyl 6-[2-[4-(dimethylamino)anilino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 3237921
methyl 6-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-6H-thieno[2,3-b]pyrrole-5-carboxylate
CID 3244067
methyl 6-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-6H-thieno[2,3-b]pyrrole-5-carboxylate
CID 3244818
ethyl 3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]pyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate
CID 5942882

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate (CID 118913719) is ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2ccsc2n1C.
What is the InChIKey of ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate?
The InChIKey is APQJBKSVOPELRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-3-13-10(12)8-6-7-4-5-14-9(7)11(8)2/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate?
ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate has a molecular weight of 209.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate is sourced from PubChem (CID 118913719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).