2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one

C12H16N2OS — CID 74224086

IUPAC2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
SMILESCCCC1SCC(=O)N1Cc1cccnc1
InChIInChI=1S/C12H16N2OS/c1-2-4-12-14(11(15)9-16-12)8-10-5-3-6-13-7-10/h3,5-7,12H,2,4,8-9H2,1H3
InChIKeyBBEROARQGOKQID-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.28
Rot. Bonds4

About 2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one

2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 74224086) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID74224086
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
SMILESCCCC1SCC(=O)N1Cc1cccnc1
InChIInChI=1S/C12H16N2OS/c1-2-4-12-14(11(15)9-16-12)8-10-5-3-6-13-7-10/h3,5-7,12H,2,4,8-9H2,1H3
InChIKeyBBEROARQGOKQID-UHFFFAOYSA-N
XLogP2.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-propyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 23932325
2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 2732021
5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 132597790
(3S,6S)-3,6-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 155810252
(2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6924944
4-benzyl-3-ethyl-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one
CID 56875104
(2S)-3-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925536
[5-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-yl]furan-2-yl]methyl acetate
CID 3507515
6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64872578
(3aS,6aS)-4-[(4-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 131685698
3-[(3,4-difluorophenyl)methyl]-2-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 3368532
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 45123641

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one (CID 74224086) is 2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one is CCCC1SCC(=O)N1Cc1cccnc1.
What is the InChIKey of 2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is BBEROARQGOKQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-4-12-14(11(15)9-16-12)8-10-5-3-6-13-7-10/h3,5-7,12H,2,4,8-9H2,1H3.
What are the key properties of 2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 236.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 74224086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).