2-cyclopropyl-3-(1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C11H16N2O3S2 — CID 55235134

IUPAC2-cyclopropyl-3-(1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)C1CSCN1
InChIInChI=1S/C11H16N2O3S2/c14-9(7-3-17-5-12-7)13-8(11(15)16)4-18-10(13)6-1-2-6/h6-8,10,12H,1-5H2,(H,15,16)
InChIKeyGQFXXHSZOYSVMA-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.41
Rot. Bonds3

About 2-cyclopropyl-3-(1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-(1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55235134) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-cyclopropyl-3-(1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID55235134
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name2-cyclopropyl-3-(1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)C1CSCN1
InChIInChI=1S/C11H16N2O3S2/c14-9(7-3-17-5-12-7)13-8(11(15)16)4-18-10(13)6-1-2-6/h6-8,10,12H,1-5H2,(H,15,16)
InChIKeyGQFXXHSZOYSVMA-UHFFFAOYSA-N
XLogP0.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 102779476
1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61158601
(2R)-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923109
2-cyclopropyl-3-[(2R)-oxolane-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 104855708
2-cyclopropyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792239
1,3-thiazolidine-4-carboxylic acid
CID 9934
2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid
CID 63782007
2-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235907
2-cyclopropyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781983
(2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61161928
3-(2-cyclohexylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63782130
1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid
CID 79310155

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 55235134) is 2-cyclopropyl-3-(1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(C2CC2)N1C(=O)C1CSCN1.
What is the InChIKey of 2-cyclopropyl-3-(1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GQFXXHSZOYSVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c14-9(7-3-17-5-12-7)13-8(11(15)16)4-18-10(13)6-1-2-6/h6-8,10,12H,1-5H2,(H,15,16).
What are the key properties of 2-cyclopropyl-3-(1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55235134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).