(3-hydroxy-2-pyridinyl)-(2-propyl-1,3-thiazolidin-3-yl)methanone

C12H16N2O2S — CID 86792334

IUPAC(3-hydroxy-2-pyridinyl)-(2-propyl-1,3-thiazolidin-3-yl)methanone
SMILESCCCC1SCCN1C(=O)c1ncccc1O
InChIInChI=1S/C12H16N2O2S/c1-2-4-10-14(7-8-17-10)12(16)11-9(15)5-3-6-13-11/h3,5-6,10,15H,2,4,7-8H2,1H3
InChIKeyXSAAYZJQVYHZCM-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.10
Rot. Bonds3

About (3-hydroxy-2-pyridinyl)-(2-propyl-1,3-thiazolidin-3-yl)methanone

(3-hydroxy-2-pyridinyl)-(2-propyl-1,3-thiazolidin-3-yl)methanone (PubChem CID 86792334) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is (3-hydroxy-2-pyridinyl)-(2-propyl-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-2-pyridinyl)-(2-propyl-1,3-thiazolidin-3-yl)methanone
PubChem CID86792334
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name(3-hydroxy-2-pyridinyl)-(2-propyl-1,3-thiazolidin-3-yl)methanone
SMILESCCCC1SCCN1C(=O)c1ncccc1O
InChIInChI=1S/C12H16N2O2S/c1-2-4-10-14(7-8-17-10)12(16)11-9(15)5-3-6-13-11/h3,5-6,10,15H,2,4,7-8H2,1H3
InChIKeyXSAAYZJQVYHZCM-UHFFFAOYSA-N
XLogP2.10
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-pyridinyl)-(2-propyl-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (3-hydroxy-2-pyridinyl)-(2-propyl-1,3-thiazolidin-3-yl)methanone (CID 86792334) is (3-hydroxy-2-pyridinyl)-(2-propyl-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (3-hydroxy-2-pyridinyl)-(2-propyl-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (3-hydroxy-2-pyridinyl)-(2-propyl-1,3-thiazolidin-3-yl)methanone is CCCC1SCCN1C(=O)c1ncccc1O.
What is the InChIKey of (3-hydroxy-2-pyridinyl)-(2-propyl-1,3-thiazolidin-3-yl)methanone?
The InChIKey is XSAAYZJQVYHZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-2-4-10-14(7-8-17-10)12(16)11-9(15)5-3-6-13-11/h3,5-6,10,15H,2,4,7-8H2,1H3.
What are the key properties of (3-hydroxy-2-pyridinyl)-(2-propyl-1,3-thiazolidin-3-yl)methanone?
(3-hydroxy-2-pyridinyl)-(2-propyl-1,3-thiazolidin-3-yl)methanone has a molecular weight of 252.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-pyridinyl)-(2-propyl-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 86792334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).