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

C12H14N2O3S — CID 43639306

IUPAC3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cccn1C1CC1
InChIInChI=1S/C12H14N2O3S/c15-11(14-7-18-6-10(14)12(16)17)9-2-1-5-13(9)8-3-4-8/h1-2,5,8,10H,3-4,6-7H2,(H,16,17)
InChIKeyRBOQFFPYCNYVRR-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.42
Rot. Bonds3

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

3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43639306) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43639306
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cccn1C1CC1
InChIInChI=1S/C12H14N2O3S/c15-11(14-7-18-6-10(14)12(16)17)9-2-1-5-13(9)8-3-4-8/h1-2,5,8,10H,3-4,6-7H2,(H,16,17)
InChIKeyRBOQFFPYCNYVRR-UHFFFAOYSA-N
XLogP1.42
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43639281
(2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034669
(2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000742
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid
CID 114610402
3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43664825
3-(3-phenylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359231
3-(3,5-dibromobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107971194
3-(2-hydroxy-2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 43809178
3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 13375478
(4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 115496373
(4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143747

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 43639306) is 3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)c1cccn1C1CC1.
What is the InChIKey of 3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RBOQFFPYCNYVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c15-11(14-7-18-6-10(14)12(16)17)9-2-1-5-13(9)8-3-4-8/h1-2,5,8,10H,3-4,6-7H2,(H,16,17).
What are the key properties of 3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43639306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).