3-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid

C11H13NO3S2 — CID 42814605

IUPAC3-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid
SMILESCc1ccsc1C1SCC(=O)N1CCC(=O)O
InChIInChI=1S/C11H13NO3S2/c1-7-3-5-16-10(7)11-12(4-2-9(14)15)8(13)6-17-11/h3,5,11H,2,4,6H2,1H3,(H,14,15)
InChIKeyGHQISZJVJHLTRJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.11
Rot. Bonds4

About 3-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid

3-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid (PubChem CID 42814605) has the molecular formula C11H13NO3S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid
PubChem CID42814605
Molecular FormulaC11H13NO3S2
Molecular Weight271.36 g/mol
Exact Mass271.03
IUPAC Name3-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid
SMILESCc1ccsc1C1SCC(=O)N1CCC(=O)O
InChIInChI=1S/C11H13NO3S2/c1-7-3-5-16-10(7)11-12(4-2-9(14)15)8(13)6-17-11/h3,5,11H,2,4,6H2,1H3,(H,14,15)
InChIKeyGHQISZJVJHLTRJ-UHFFFAOYSA-N
XLogP2.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid?
The IUPAC name of 3-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid (CID 42814605) is 3-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid is Cc1ccsc1C1SCC(=O)N1CCC(=O)O.
What is the InChIKey of 3-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid?
The InChIKey is GHQISZJVJHLTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S2/c1-7-3-5-16-10(7)11-12(4-2-9(14)15)8(13)6-17-11/h3,5,11H,2,4,6H2,1H3,(H,14,15).
What are the key properties of 3-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid?
3-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid is sourced from PubChem (CID 42814605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).