3-(thieno[3,2-b]thiophene-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C11H9NO3S3 — CID 80733741

IUPAC3-(thieno[3,2-b]thiophene-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cc2sccc2s1
InChIInChI=1S/C11H9NO3S3/c13-10(12-5-16-4-6(12)11(14)15)9-3-8-7(18-9)1-2-17-8/h1-3,6H,4-5H2,(H,14,15)
InChIKeyKDOQHWDLIWUBBV-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.56
Rot. Bonds2

About 3-(thieno[3,2-b]thiophene-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(thieno[3,2-b]thiophene-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 80733741) has the molecular formula C11H9NO3S3 and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-(thieno[3,2-b]thiophene-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(thieno[3,2-b]thiophene-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID80733741
Molecular FormulaC11H9NO3S3
Molecular Weight299.40 g/mol
Exact Mass298.97
IUPAC Name3-(thieno[3,2-b]thiophene-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cc2sccc2s1
InChIInChI=1S/C11H9NO3S3/c13-10(12-5-16-4-6(12)11(14)15)9-3-8-7(18-9)1-2-17-8/h1-3,6H,4-5H2,(H,14,15)
InChIKeyKDOQHWDLIWUBBV-UHFFFAOYSA-N
XLogP2.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-fluoro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43172251
(4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61389230
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
(4R)-3-(3-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 81127529
[2-(hydroxymethyl)azepan-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 116636360
3-(3,5-dibromobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107971194
(4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107721616
(4R)-3-(1,3-benzothiazole-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143328
[2-(bromomethyl)azepan-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 116639438
(4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161523
ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate
CID 78991939
3-(1-benzothiophene-2-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 71879816

Frequently Asked Questions

What is the IUPAC name of 3-(thieno[3,2-b]thiophene-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(thieno[3,2-b]thiophene-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 80733741) is 3-(thieno[3,2-b]thiophene-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(thieno[3,2-b]thiophene-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(thieno[3,2-b]thiophene-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)c1cc2sccc2s1.
What is the InChIKey of 3-(thieno[3,2-b]thiophene-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KDOQHWDLIWUBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S3/c13-10(12-5-16-4-6(12)11(14)15)9-3-8-7(18-9)1-2-17-8/h1-3,6H,4-5H2,(H,14,15).
What are the key properties of 3-(thieno[3,2-b]thiophene-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(thieno[3,2-b]thiophene-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 299.40 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thieno[3,2-b]thiophene-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 80733741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).