(4R)-3-[3-(2-oxo-1-pyridinyl)propanoyl]-1,3-thiazolidine-4-carbonitrile

C12H13N3O2S — CID 138009174

IUPAC(4R)-3-[3-(2-oxo-1-pyridinyl)propanoyl]-1,3-thiazolidine-4-carbonitrile
SMILESN#C[C@@H]1CSCN1C(=O)CCn1ccccc1=O
InChIInChI=1S/C12H13N3O2S/c13-7-10-8-18-9-15(10)12(17)4-6-14-5-2-1-3-11(14)16/h1-3,5,10H,4,6,8-9H2/t10-/m1/s1
InChIKeyOGOADUHEZIOZNF-SNVBAGLBSA-N
MW263.32 g/mol
LogP0.66
Rot. Bonds3

About (4R)-3-[3-(2-oxo-1-pyridinyl)propanoyl]-1,3-thiazolidine-4-carbonitrile

(4R)-3-[3-(2-oxo-1-pyridinyl)propanoyl]-1,3-thiazolidine-4-carbonitrile (PubChem CID 138009174) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is (4R)-3-[3-(2-oxo-1-pyridinyl)propanoyl]-1,3-thiazolidine-4-carbonitrile.

Molecular Properties

Compound Name(4R)-3-[3-(2-oxo-1-pyridinyl)propanoyl]-1,3-thiazolidine-4-carbonitrile
PubChem CID138009174
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name(4R)-3-[3-(2-oxo-1-pyridinyl)propanoyl]-1,3-thiazolidine-4-carbonitrile
SMILESN#C[C@@H]1CSCN1C(=O)CCn1ccccc1=O
InChIInChI=1S/C12H13N3O2S/c13-7-10-8-18-9-15(10)12(17)4-6-14-5-2-1-3-11(14)16/h1-3,5,10H,4,6,8-9H2/t10-/m1/s1
InChIKeyOGOADUHEZIOZNF-SNVBAGLBSA-N
XLogP0.66
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[3-(2-oxo-1-pyridinyl)propanoyl]-1,3-thiazolidine-4-carbonitrile?
The IUPAC name of (4R)-3-[3-(2-oxo-1-pyridinyl)propanoyl]-1,3-thiazolidine-4-carbonitrile (CID 138009174) is (4R)-3-[3-(2-oxo-1-pyridinyl)propanoyl]-1,3-thiazolidine-4-carbonitrile.
What is the SMILES notation for (4R)-3-[3-(2-oxo-1-pyridinyl)propanoyl]-1,3-thiazolidine-4-carbonitrile?
The canonical SMILES for (4R)-3-[3-(2-oxo-1-pyridinyl)propanoyl]-1,3-thiazolidine-4-carbonitrile is N#C[C@@H]1CSCN1C(=O)CCn1ccccc1=O.
What is the InChIKey of (4R)-3-[3-(2-oxo-1-pyridinyl)propanoyl]-1,3-thiazolidine-4-carbonitrile?
The InChIKey is OGOADUHEZIOZNF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-7-10-8-18-9-15(10)12(17)4-6-14-5-2-1-3-11(14)16/h1-3,5,10H,4,6,8-9H2/t10-/m1/s1.
What are the key properties of (4R)-3-[3-(2-oxo-1-pyridinyl)propanoyl]-1,3-thiazolidine-4-carbonitrile?
(4R)-3-[3-(2-oxo-1-pyridinyl)propanoyl]-1,3-thiazolidine-4-carbonitrile has a molecular weight of 263.32 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[3-(2-oxo-1-pyridinyl)propanoyl]-1,3-thiazolidine-4-carbonitrile is sourced from PubChem (CID 138009174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).