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

C12H16N2O3S2 — CID 61475565

IUPAC3-(1-thiophen-3-ylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(Cc1ccsc1)NC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C12H16N2O3S2/c1-8(4-9-2-3-18-5-9)13-12(17)14-7-19-6-10(14)11(15)16/h2-3,5,8,10H,4,6-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyCOFIXMNJRABUIY-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.85
Rot. Bonds4

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

3-(1-thiophen-3-ylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61475565) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(1-thiophen-3-ylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-thiophen-3-ylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61475565
Molecular FormulaC12H16N2O3S2
Molecular Weight300.40 g/mol
Exact Mass300.06
IUPAC Name3-(1-thiophen-3-ylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(Cc1ccsc1)NC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C12H16N2O3S2/c1-8(4-9-2-3-18-5-9)13-12(17)14-7-19-6-10(14)11(15)16/h2-3,5,8,10H,4,6-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyCOFIXMNJRABUIY-UHFFFAOYSA-N
XLogP1.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-thiophen-3-ylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(1-thiophen-3-ylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 61475565) is 3-(1-thiophen-3-ylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(1-thiophen-3-ylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(1-thiophen-3-ylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CC(Cc1ccsc1)NC(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-(1-thiophen-3-ylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is COFIXMNJRABUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c1-8(4-9-2-3-18-5-9)13-12(17)14-7-19-6-10(14)11(15)16/h2-3,5,8,10H,4,6-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 3-(1-thiophen-3-ylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(1-thiophen-3-ylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-thiophen-3-ylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61475565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).