5-propan-2-yl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one

C11H13N3OS — CID 135989327

IUPAC5-propan-2-yl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N/c2ccncc2)NC1=O
InChIInChI=1S/C11H13N3OS/c1-7(2)9-10(15)14-11(16-9)13-8-3-5-12-6-4-8/h3-7,9H,1-2H3,(H,12,13,14,15)
InChIKeyTVSNOYCBEYIRPC-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.96
Rot. Bonds2

About 5-propan-2-yl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one

5-propan-2-yl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one (PubChem CID 135989327) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-propan-2-yl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-propan-2-yl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one
PubChem CID135989327
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-propan-2-yl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N/c2ccncc2)NC1=O
InChIInChI=1S/C11H13N3OS/c1-7(2)9-10(15)14-11(16-9)13-8-3-5-12-6-4-8/h3-7,9H,1-2H3,(H,12,13,14,15)
InChIKeyTVSNOYCBEYIRPC-UHFFFAOYSA-N
XLogP1.96
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-propan-2-yl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one (CID 135989327) is 5-propan-2-yl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-propan-2-yl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-propan-2-yl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one is CC(C)C1S/C(=N/c2ccncc2)NC1=O.
What is the InChIKey of 5-propan-2-yl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one?
The InChIKey is TVSNOYCBEYIRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7(2)9-10(15)14-11(16-9)13-8-3-5-12-6-4-8/h3-7,9H,1-2H3,(H,12,13,14,15).
What are the key properties of 5-propan-2-yl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one?
5-propan-2-yl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one has a molecular weight of 235.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).