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

C12H16N2O2S — CID 71918997

IUPAC4-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one
SMILESCCCC1SCCN1C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H16N2O2S/c1-2-3-11-14(6-7-17-11)12(16)9-4-5-13-10(15)8-9/h4-5,8,11H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyNSFUTUSNVIYBKA-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.69
Rot. Bonds3

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

4-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one (PubChem CID 71918997) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one
PubChem CID71918997
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name4-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one
SMILESCCCC1SCCN1C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H16N2O2S/c1-2-3-11-14(6-7-17-11)12(16)9-4-5-13-10(15)8-9/h4-5,8,11H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyNSFUTUSNVIYBKA-UHFFFAOYSA-N
XLogP1.69
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-5-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one
CID 71919856
1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide
CID 71971591
N-ethyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-2,3-dihydrothiophene-5-carboxamide
CID 71001564
(2E)-N-(3-methylsulfanylpropyl)-2-[(Z)-(5-oxopyrrolidin-3-ylidene)methyl]penta-2,4-dienamide
CID 163702776
(2Z)-2-[5-(2-oxo-1-propyl-3-pyridinyl)-3H-1,3-thiazol-2-ylidene]but-3-enamide
CID 164547552
3-(2-Aminoethyl)-1-(3-methylsulfanylpropyl)pyridin-2-one
CID 164570930
N-methyl-2-[2-[2-(4-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide
CID 166506254
N-methyl-2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide
CID 166506402
2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanyl-N-propylacetamide
CID 167261164
N-(2-aminoethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-7-carboxamide
CID 172309276
(E)-N-(2-aminoethyl)-2-[(E)-(3-formyl-1,3-thiazolidin-2-ylidene)methyl]but-2-enamide
CID 172309295
N-dodecyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-7-carboxamide
CID 178630329

Frequently Asked Questions

What is the IUPAC name of 4-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 4-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one (CID 71918997) is 4-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one is CCCC1SCCN1C(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one?
The InChIKey is NSFUTUSNVIYBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-2-3-11-14(6-7-17-11)12(16)9-4-5-13-10(15)8-9/h4-5,8,11H,2-3,6-7H2,1H3,(H,13,15).
What are the key properties of 4-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one?
4-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one has a molecular weight of 252.34 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propyl-1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 71918997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).