(4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C12H15N3O3S — CID 61203852

IUPAC(4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)NCCc1cccnc1
InChIInChI=1S/C12H15N3O3S/c16-11(17)10-7-19-8-15(10)12(18)14-5-3-9-2-1-4-13-6-9/h1-2,4,6,10H,3,5,7-8H2,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyYBSSEQWQCDIUKJ-JTQLQIEISA-N
MW281.34 g/mol
LogP0.79
Rot. Bonds4

About (4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61203852) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is (4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61203852
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name(4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)NCCc1cccnc1
InChIInChI=1S/C12H15N3O3S/c16-11(17)10-7-19-8-15(10)12(18)14-5-3-9-2-1-4-13-6-9/h1-2,4,6,10H,3,5,7-8H2,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyYBSSEQWQCDIUKJ-JTQLQIEISA-N
XLogP0.79
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61200404
(4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62315406
4-(pyridin-3-ylmethylcarbamoyl)thiomorpholine-3-carboxylic acid
CID 82903979
3-(1-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61197892
3-(3-phenoxypropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62379863
3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 13375478
2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide
CID 111427847
(4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 97212140
4-(2-pyridin-3-ylacetyl)thiomorpholine-3-carboxylic acid
CID 82900776
(4R)-3-[(3-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61205375
3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62533279
3-[2-(triazol-1-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 113413093

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 61203852) is (4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)NCCc1cccnc1.
What is the InChIKey of (4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YBSSEQWQCDIUKJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-11(17)10-7-19-8-15(10)12(18)14-5-3-9-2-1-4-13-6-9/h1-2,4,6,10H,3,5,7-8H2,(H,14,18)(H,16,17)/t10-/m0/s1.
What are the key properties of (4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 281.34 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61203852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).