4-methyl-5-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one

C13H18N2O2S — CID 71919856

IUPAC4-methyl-5-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one
SMILESCCCC1SCCN1C(=O)c1c[nH]c(=O)cc1C
InChIInChI=1S/C13H18N2O2S/c1-3-4-12-15(5-6-18-12)13(17)10-8-14-11(16)7-9(10)2/h7-8,12H,3-6H2,1-2H3,(H,14,16)
InChIKeyRYNGCSKCWAZJJB-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.00
Rot. Bonds3

About 4-methyl-5-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one

4-methyl-5-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one (PubChem CID 71919856) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-methyl-5-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-5-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one
PubChem CID71919856
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name4-methyl-5-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one
SMILESCCCC1SCCN1C(=O)c1c[nH]c(=O)cc1C
InChIInChI=1S/C13H18N2O2S/c1-3-4-12-15(5-6-18-12)13(17)10-8-14-11(16)7-9(10)2/h7-8,12H,3-6H2,1-2H3,(H,14,16)
InChIKeyRYNGCSKCWAZJJB-UHFFFAOYSA-N
XLogP2.00
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 4-methyl-5-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one (CID 71919856) is 4-methyl-5-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-5-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-5-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one is CCCC1SCCN1C(=O)c1c[nH]c(=O)cc1C.
What is the InChIKey of 4-methyl-5-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one?
The InChIKey is RYNGCSKCWAZJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-4-12-15(5-6-18-12)13(17)10-8-14-11(16)7-9(10)2/h7-8,12H,3-6H2,1-2H3,(H,14,16).
What are the key properties of 4-methyl-5-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one?
4-methyl-5-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one has a molecular weight of 266.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 71919856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).