5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one

C13H17N3OS — CID 135989212

IUPAC5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one
SMILESCC(C)C1(C)S/C(=N/Cc2ccccn2)NC1=O
InChIInChI=1S/C13H17N3OS/c1-9(2)13(3)11(17)16-12(18-13)15-8-10-6-4-5-7-14-10/h4-7,9H,8H2,1-3H3,(H,15,16,17)
InChIKeySPUIWDWQKRIQCN-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.22
Rot. Bonds3

About 5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one

5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one (PubChem CID 135989212) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one
PubChem CID135989212
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one
SMILESCC(C)C1(C)S/C(=N/Cc2ccccn2)NC1=O
InChIInChI=1S/C13H17N3OS/c1-9(2)13(3)11(17)16-12(18-13)15-8-10-6-4-5-7-14-10/h4-7,9H,8H2,1-3H3,(H,15,16,17)
InChIKeySPUIWDWQKRIQCN-UHFFFAOYSA-N
XLogP2.22
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-5-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135400715
2-(Phenylimino)-5-(3-pyridinylmethylene)-1,3-thiazolidin-4-one
CID 135460418
(5E)-2-Amino-5-(2-pyridinylmethylene)-1,3-thiazol-4(5H)-one
CID 46937079
(5Z)-3-(2-methylpropyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 70694819
6-Ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-pyrimidin-4-ol
CID 135400711
5-but-3-en-2-yl-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 135418974
2-Pyridin-2-yl-3,5,6,8-tetrahydrothiopyrano[3,4-d]pyrimidin-4-one
CID 136219280
5-ethyl-6-methyl-2-[(3-pyridyl)methylthio]-4(3H)-pyrimidinone
CID 135492661
(5Z)-2-anilino-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one
CID 135547118
4,5-dimethyl-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135561834
5-Propan-2-yl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one
CID 135989327
(2E)-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137100918

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one (CID 135989212) is 5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one is CC(C)C1(C)S/C(=N/Cc2ccccn2)NC1=O.
What is the InChIKey of 5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one?
The InChIKey is SPUIWDWQKRIQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(2)13(3)11(17)16-12(18-13)15-8-10-6-4-5-7-14-10/h4-7,9H,8H2,1-3H3,(H,15,16,17).
What are the key properties of 5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one?
5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one has a molecular weight of 263.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).