(2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

C17H17N3O2S — CID 135764088

IUPAC(2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(C[C@H]2S/C(=N/c3ccccn3)NC2=O)cc1
InChIInChI=1S/C17H17N3O2S/c1-2-22-13-8-6-12(7-9-13)11-14-16(21)20-17(23-14)19-15-5-3-4-10-18-15/h3-10,14H,2,11H2,1H3,(H,18,19,20,21)/t14-/m1/s1
InChIKeyIHKFDNUVZIPCII-CQSZACIVSA-N
MW327.41 g/mol
LogP2.94
Rot. Bonds5

About (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

(2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 135764088) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID135764088
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name(2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(C[C@H]2S/C(=N/c3ccccn3)NC2=O)cc1
InChIInChI=1S/C17H17N3O2S/c1-2-22-13-8-6-12(7-9-13)11-14-16(21)20-17(23-14)19-15-5-3-4-10-18-15/h3-10,14H,2,11H2,1H3,(H,18,19,20,21)/t14-/m1/s1
InChIKeyIHKFDNUVZIPCII-CQSZACIVSA-N
XLogP2.94
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.94
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-[(4-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135495445
(2E,5R)-5-[(4-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135764085
(2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135702273
(5S)-5-[(4-bromophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136851170
(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
2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135446671
(5S)-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 130307890
(2E,5R)-2-pyridin-2-ylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135665721
(5R)-5-[(3-nitrophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136678569
(5R)-5-[(2,5-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136773710
(2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135665687

Frequently Asked Questions

What is the IUPAC name of (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 135764088) is (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is CCOc1ccc(C[C@H]2S/C(=N/c3ccccn3)NC2=O)cc1.
What is the InChIKey of (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is IHKFDNUVZIPCII-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-2-22-13-8-6-12(7-9-13)11-14-16(21)20-17(23-14)19-15-5-3-4-10-18-15/h3-10,14H,2,11H2,1H3,(H,18,19,20,21)/t14-/m1/s1.
What are the key properties of (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
(2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 327.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135764088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).