3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C12H14N2O3S2 — CID 61187263

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)N1CCc2sccc2C1
InChIInChI=1S/C12H14N2O3S2/c15-11(16)9-6-18-7-14(9)12(17)13-3-1-10-8(5-13)2-4-19-10/h2,4,9H,1,3,5-7H2,(H,15,16)
InChIKeyXRFGUMWDLHKWLZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.69
Rot. Bonds1

About 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61187263) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61187263
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)N1CCc2sccc2C1
InChIInChI=1S/C12H14N2O3S2/c15-11(16)9-6-18-7-14(9)12(17)13-3-1-10-8(5-13)2-4-19-10/h2,4,9H,1,3,5-7H2,(H,15,16)
InChIKeyXRFGUMWDLHKWLZ-UHFFFAOYSA-N
XLogP1.69
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

(2R,4R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999428
(2S)-1-[(4S)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]-2-methylbutan-1-one
CID 95287129
(4R)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61185674
(4R)-3-(azepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188708
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
(2S)-1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910319
1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-thiazolidin-3-yl]ethanone
CID 71884806
(4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61389230
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxy-2-phenylethanone
CID 111432209
3-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 113399341
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(4-hydroxypiperidin-1-yl)propan-1-one
CID 47314056
(4R)-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 79094066

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 61187263) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)N1CCc2sccc2C1.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XRFGUMWDLHKWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c15-11(16)9-6-18-7-14(9)12(17)13-3-1-10-8(5-13)2-4-19-10/h2,4,9H,1,3,5-7H2,(H,15,16).
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 298.39 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61187263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).