(2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one

C16H15N3OS — CID 135665687

IUPAC(2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2\NC(=O)[C@@H](Cc3ccccc3)S2)n1
InChIInChI=1S/C16H15N3OS/c1-11-6-5-9-14(17-11)18-16-19-15(20)13(21-16)10-12-7-3-2-4-8-12/h2-9,13H,10H2,1H3,(H,17,18,19,20)/t13-/m1/s1
InChIKeyDWNXKVBAOKIMQH-CYBMUJFWSA-N
MW297.38 g/mol
LogP2.85
Rot. Bonds3

About (2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one

(2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one (PubChem CID 135665687) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is (2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
PubChem CID135665687
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name(2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2\NC(=O)[C@@H](Cc3ccccc3)S2)n1
InChIInChI=1S/C16H15N3OS/c1-11-6-5-9-14(17-11)18-16-19-15(20)13(21-16)10-12-7-3-2-4-8-12/h2-9,13H,10H2,1H3,(H,17,18,19,20)/t13-/m1/s1
InChIKeyDWNXKVBAOKIMQH-CYBMUJFWSA-N
XLogP2.85
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.85
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

5-[(4-butylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135499121
2-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135498243
(2E,5R)-5-[(2-chlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135665258
5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135483442
(5S)-5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 136906266
(2E)-5-[(4-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135495445
(5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135760231
5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
CID 135414145
(2E,5R)-5-[(4-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135764085
(5S)-5-[(4-bromophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136851170
(2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135764088
(2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135702273

Frequently Asked Questions

What is the IUPAC name of (2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one (CID 135665687) is (2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one is Cc1cccc(/N=C2\NC(=O)[C@@H](Cc3ccccc3)S2)n1.
What is the InChIKey of (2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
The InChIKey is DWNXKVBAOKIMQH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-6-5-9-14(17-11)18-16-19-15(20)13(21-16)10-12-7-3-2-4-8-12/h2-9,13H,10H2,1H3,(H,17,18,19,20)/t13-/m1/s1.
What are the key properties of (2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
(2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one has a molecular weight of 297.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135665687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).