3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C9H10N2O3S2 — CID 66355455

IUPAC3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Nc1ccsc1
InChIInChI=1S/C9H10N2O3S2/c12-8(13)7-4-16-5-11(7)9(14)10-6-1-2-15-3-6/h1-3,7H,4-5H2,(H,10,14)(H,12,13)
InChIKeyLWFVEWWIOIVNBA-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.74
Rot. Bonds2

About 3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 66355455) has the molecular formula C9H10N2O3S2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID66355455
Molecular FormulaC9H10N2O3S2
Molecular Weight258.32 g/mol
Exact Mass258.01
IUPAC Name3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Nc1ccsc1
InChIInChI=1S/C9H10N2O3S2/c12-8(13)7-4-16-5-11(7)9(14)10-6-1-2-15-3-6/h1-3,7H,4-5H2,(H,10,14)(H,12,13)
InChIKeyLWFVEWWIOIVNBA-UHFFFAOYSA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 66355455) is 3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)Nc1ccsc1.
What is the InChIKey of 3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LWFVEWWIOIVNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S2/c12-8(13)7-4-16-5-11(7)9(14)10-6-1-2-15-3-6/h1-3,7H,4-5H2,(H,10,14)(H,12,13).
What are the key properties of 3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 66355455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).