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

C13H18N2O2S — CID 122140875

IUPAC1-methyl-4-(2-propyl-1,3-thiazolidine-3-carbonyl)pyridin-2-one
SMILESCCCC1SCCN1C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C13H18N2O2S/c1-3-4-12-15(7-8-18-12)13(17)10-5-6-14(2)11(16)9-10/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyHCAQDIGVTOAOPH-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.70
Rot. Bonds3

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

1-methyl-4-(2-propyl-1,3-thiazolidine-3-carbonyl)pyridin-2-one (PubChem CID 122140875) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-methyl-4-(2-propyl-1,3-thiazolidine-3-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-(2-propyl-1,3-thiazolidine-3-carbonyl)pyridin-2-one
PubChem CID122140875
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-methyl-4-(2-propyl-1,3-thiazolidine-3-carbonyl)pyridin-2-one
SMILESCCCC1SCCN1C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C13H18N2O2S/c1-3-4-12-15(7-8-18-12)13(17)10-5-6-14(2)11(16)9-10/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyHCAQDIGVTOAOPH-UHFFFAOYSA-N
XLogP1.70
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-propyl-1,3-thiazolidine-3-carbonyl)pyridin-2-one?
The IUPAC name of 1-methyl-4-(2-propyl-1,3-thiazolidine-3-carbonyl)pyridin-2-one (CID 122140875) is 1-methyl-4-(2-propyl-1,3-thiazolidine-3-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-4-(2-propyl-1,3-thiazolidine-3-carbonyl)pyridin-2-one?
The canonical SMILES for 1-methyl-4-(2-propyl-1,3-thiazolidine-3-carbonyl)pyridin-2-one is CCCC1SCCN1C(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of 1-methyl-4-(2-propyl-1,3-thiazolidine-3-carbonyl)pyridin-2-one?
The InChIKey is HCAQDIGVTOAOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-4-12-15(7-8-18-12)13(17)10-5-6-14(2)11(16)9-10/h5-6,9,12H,3-4,7-8H2,1-2H3.
What are the key properties of 1-methyl-4-(2-propyl-1,3-thiazolidine-3-carbonyl)pyridin-2-one?
1-methyl-4-(2-propyl-1,3-thiazolidine-3-carbonyl)pyridin-2-one has a molecular weight of 266.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-propyl-1,3-thiazolidine-3-carbonyl)pyridin-2-one is sourced from PubChem (CID 122140875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).