3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid

C12H14N2O4S2 — CID 43172253

IUPAC3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(NCCC(=O)N1CSCC1C(=O)O)c1cccs1
InChIInChI=1S/C12H14N2O4S2/c15-10(14-7-19-6-8(14)12(17)18)3-4-13-11(16)9-2-1-5-20-9/h1-2,5,8H,3-4,6-7H2,(H,13,16)(H,17,18)
InChIKeyQRLYRZMJNNQKRH-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.85
Rot. Bonds5

About 3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid

3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43172253) has the molecular formula C12H14N2O4S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID43172253
Molecular FormulaC12H14N2O4S2
Molecular Weight314.39 g/mol
Exact Mass314.04
IUPAC Name3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(NCCC(=O)N1CSCC1C(=O)O)c1cccs1
InChIInChI=1S/C12H14N2O4S2/c15-10(14-7-19-6-8(14)12(17)18)3-4-13-11(16)9-2-1-5-20-9/h1-2,5,8H,3-4,6-7H2,(H,13,16)(H,17,18)
InChIKeyQRLYRZMJNNQKRH-UHFFFAOYSA-N
XLogP0.85
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144843
(4R)-3-[2-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61143308
6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 122083803
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 62916407
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 78795052
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 51180610
3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157082
3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61158757
(4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62837022
1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
CID 43356026
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 119647570
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649

Frequently Asked Questions

What is the IUPAC name of 3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid (CID 43172253) is 3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid is O=C(NCCC(=O)N1CSCC1C(=O)O)c1cccs1.
What is the InChIKey of 3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QRLYRZMJNNQKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S2/c15-10(14-7-19-6-8(14)12(17)18)3-4-13-11(16)9-2-1-5-20-9/h1-2,5,8H,3-4,6-7H2,(H,13,16)(H,17,18).
What are the key properties of 3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 314.39 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43172253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).