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

C10H12N2O3S2 — CID 66353553

IUPAC2-methyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)Nc1ccsc1
InChIInChI=1S/C10H12N2O3S2/c1-6-12(8(5-17-6)9(13)14)10(15)11-7-2-3-16-4-7/h2-4,6,8H,5H2,1H3,(H,11,15)(H,13,14)
InChIKeyXVJHAMCWOMKZAS-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.13
Rot. Bonds2

About 2-methyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 66353553) has the molecular formula C10H12N2O3S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID66353553
Molecular FormulaC10H12N2O3S2
Molecular Weight272.35 g/mol
Exact Mass272.03
IUPAC Name2-methyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)Nc1ccsc1
InChIInChI=1S/C10H12N2O3S2/c1-6-12(8(5-17-6)9(13)14)10(15)11-7-2-3-16-4-7/h2-4,6,8H,5H2,1H3,(H,11,15)(H,13,14)
InChIKeyXVJHAMCWOMKZAS-UHFFFAOYSA-N
XLogP2.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 66353553) is 2-methyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)Nc1ccsc1.
What is the InChIKey of 2-methyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XVJHAMCWOMKZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S2/c1-6-12(8(5-17-6)9(13)14)10(15)11-7-2-3-16-4-7/h2-4,6,8H,5H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2-methyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(thiophen-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 66353553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).