5-[(3-methylphenyl)methyl]-2-pyrimidin-2-ylimino-1,3-thiazolidin-4-one

C15H14N4OS — CID 135454568

IUPAC5-[(3-methylphenyl)methyl]-2-pyrimidin-2-ylimino-1,3-thiazolidin-4-one
SMILESCc1cccc(CC2SC(=Nc3ncccn3)NC2=O)c1
InChIInChI=1S/C15H14N4OS/c1-10-4-2-5-11(8-10)9-12-13(20)18-15(21-12)19-14-16-6-3-7-17-14/h2-8,12H,9H2,1H3,(H,16,17,18,19,20)
InChIKeyCBKSXORJDPVHGV-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.25
Rot. Bonds3

About 5-[(3-methylphenyl)methyl]-2-pyrimidin-2-ylimino-1,3-thiazolidin-4-one

5-[(3-methylphenyl)methyl]-2-pyrimidin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 135454568) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methyl]-2-pyrimidin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(3-methylphenyl)methyl]-2-pyrimidin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID135454568
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name5-[(3-methylphenyl)methyl]-2-pyrimidin-2-ylimino-1,3-thiazolidin-4-one
SMILESCc1cccc(CC2SC(=Nc3ncccn3)NC2=O)c1
InChIInChI=1S/C15H14N4OS/c1-10-4-2-5-11(8-10)9-12-13(20)18-15(21-12)19-14-16-6-3-7-17-14/h2-8,12H,9H2,1H3,(H,16,17,18,19,20)
InChIKeyCBKSXORJDPVHGV-UHFFFAOYSA-N
XLogP2.25
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2E)-5-[(3-methylphenyl)methyl]-2-pyrimidin-2-ylimino-1,3-thiazolidin-4-one
CID 135856594
5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
CID 135414145
5-[(3-methylphenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one
CID 135707412
(2E,5R)-5-[(3-methylphenyl)methyl]-2-[(Z)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135780019
(2E)-5-[(4-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135495445
(2E,5R)-2-pyridin-2-ylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135665721
5-[(3-methylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135456409
(5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135760231
(2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135665687
(5R)-5-[(3-nitrophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136678569
(5R)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136717082
(2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135675530

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methyl]-2-pyrimidin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(3-methylphenyl)methyl]-2-pyrimidin-2-ylimino-1,3-thiazolidin-4-one (CID 135454568) is 5-[(3-methylphenyl)methyl]-2-pyrimidin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(3-methylphenyl)methyl]-2-pyrimidin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(3-methylphenyl)methyl]-2-pyrimidin-2-ylimino-1,3-thiazolidin-4-one is Cc1cccc(CC2SC(=Nc3ncccn3)NC2=O)c1.
What is the InChIKey of 5-[(3-methylphenyl)methyl]-2-pyrimidin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is CBKSXORJDPVHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-10-4-2-5-11(8-10)9-12-13(20)18-15(21-12)19-14-16-6-3-7-17-14/h2-8,12H,9H2,1H3,(H,16,17,18,19,20).
What are the key properties of 5-[(3-methylphenyl)methyl]-2-pyrimidin-2-ylimino-1,3-thiazolidin-4-one?
5-[(3-methylphenyl)methyl]-2-pyrimidin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 298.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methyl]-2-pyrimidin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135454568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).