ethyl 3-carbamoylthieno[2,3-b]thiophene-5-carboxylate

C10H9NO3S2 — CID 133062404

IUPACethyl 3-carbamoylthieno[2,3-b]thiophene-5-carboxylate
SMILESCCOC(=O)c1cc2c(C(N)=O)csc2s1
InChIInChI=1S/C10H9NO3S2/c1-2-14-9(13)7-3-5-6(8(11)12)4-15-10(5)16-7/h3-4H,2H2,1H3,(H2,11,12)
InChIKeyAYTFBMUAGQVYGC-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.24
Rot. Bonds3

About ethyl 3-carbamoylthieno[2,3-b]thiophene-5-carboxylate

ethyl 3-carbamoylthieno[2,3-b]thiophene-5-carboxylate (PubChem CID 133062404) has the molecular formula C10H9NO3S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is ethyl 3-carbamoylthieno[2,3-b]thiophene-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-carbamoylthieno[2,3-b]thiophene-5-carboxylate
PubChem CID133062404
Molecular FormulaC10H9NO3S2
Molecular Weight255.32 g/mol
Exact Mass255.00
IUPAC Nameethyl 3-carbamoylthieno[2,3-b]thiophene-5-carboxylate
SMILESCCOC(=O)c1cc2c(C(N)=O)csc2s1
InChIInChI=1S/C10H9NO3S2/c1-2-14-9(13)7-3-5-6(8(11)12)4-15-10(5)16-7/h3-4H,2H2,1H3,(H2,11,12)
InChIKeyAYTFBMUAGQVYGC-UHFFFAOYSA-N
XLogP2.24
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate
CID 11033401
diethyl thieno[3,2-e][1]benzothiole-2,7-dicarboxylate
CID 171984196
diethyl 5-aminothiophene-2,4-dicarboxylate
CID 4082907
ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate
CID 133055284
3-propan-2-yloxycarbonylthieno[2,3-b]thiophene-5-carboxylic acid
CID 133060983
diethyl 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11290764
ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
ethyl 4-hydroxy-5-methylthiophene-2-carboxylate
CID 588232
methyl 3-bromothieno[2,3-b]thiophene-5-carboxylate
CID 133061638
ethyl 4,5,6,7-tetrakis(4-methylphenyl)-1-benzothiophene-2-carboxylate
CID 11124615
tert-butyl 3-hydroxythieno[2,3-b]thiophene-5-carboxylate
CID 133061132
ethyl 4-bromo-6-chloro-1-benzothiophene-2-carboxylate
CID 169494860

Frequently Asked Questions

What is the IUPAC name of ethyl 3-carbamoylthieno[2,3-b]thiophene-5-carboxylate?
The IUPAC name of ethyl 3-carbamoylthieno[2,3-b]thiophene-5-carboxylate (CID 133062404) is ethyl 3-carbamoylthieno[2,3-b]thiophene-5-carboxylate.
What is the SMILES notation for ethyl 3-carbamoylthieno[2,3-b]thiophene-5-carboxylate?
The canonical SMILES for ethyl 3-carbamoylthieno[2,3-b]thiophene-5-carboxylate is CCOC(=O)c1cc2c(C(N)=O)csc2s1.
What is the InChIKey of ethyl 3-carbamoylthieno[2,3-b]thiophene-5-carboxylate?
The InChIKey is AYTFBMUAGQVYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S2/c1-2-14-9(13)7-3-5-6(8(11)12)4-15-10(5)16-7/h3-4H,2H2,1H3,(H2,11,12).
What are the key properties of ethyl 3-carbamoylthieno[2,3-b]thiophene-5-carboxylate?
ethyl 3-carbamoylthieno[2,3-b]thiophene-5-carboxylate has a molecular weight of 255.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-carbamoylthieno[2,3-b]thiophene-5-carboxylate is sourced from PubChem (CID 133062404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).