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

C16H14ClN3OS — CID 135665258

IUPAC(2E,5R)-5-[(2-chlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2\NC(=O)[C@@H](Cc3ccccc3Cl)S2)n1
InChIInChI=1S/C16H14ClN3OS/c1-10-5-4-8-14(18-10)19-16-20-15(21)13(22-16)9-11-6-2-3-7-12(11)17/h2-8,13H,9H2,1H3,(H,18,19,20,21)/t13-/m1/s1
InChIKeyMSMIAMFXXCCSJH-CYBMUJFWSA-N
MW331.83 g/mol
LogP3.51
Rot. Bonds3

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

(2E,5R)-5-[(2-chlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one (PubChem CID 135665258) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is (2E,5R)-5-[(2-chlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5R)-5-[(2-chlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
PubChem CID135665258
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name(2E,5R)-5-[(2-chlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2\NC(=O)[C@@H](Cc3ccccc3Cl)S2)n1
InChIInChI=1S/C16H14ClN3OS/c1-10-5-4-8-14(18-10)19-16-20-15(21)13(22-16)9-11-6-2-3-7-12(11)17/h2-8,13H,9H2,1H3,(H,18,19,20,21)/t13-/m1/s1
InChIKeyMSMIAMFXXCCSJH-CYBMUJFWSA-N
XLogP3.51
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 53.51
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-[(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,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135665687
(5R)-5-[(2,3-dichlorophenyl)methyl]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 136720879
5-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one
CID 135458588
5-[(4-butylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135499121
(5R)-5-[(2,5-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136773710
2-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135498243
(5S)-5-[(2,3-dichlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135665701
(2Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135707253
(5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
CID 135665703
(2E,5R)-5-[(4-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135764085

Frequently Asked Questions

What is the IUPAC name of (2E,5R)-5-[(2-chlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5R)-5-[(2-chlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one (CID 135665258) is (2E,5R)-5-[(2-chlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5R)-5-[(2-chlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5R)-5-[(2-chlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one is Cc1cccc(/N=C2\NC(=O)[C@@H](Cc3ccccc3Cl)S2)n1.
What is the InChIKey of (2E,5R)-5-[(2-chlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
The InChIKey is MSMIAMFXXCCSJH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c1-10-5-4-8-14(18-10)19-16-20-15(21)13(22-16)9-11-6-2-3-7-12(11)17/h2-8,13H,9H2,1H3,(H,18,19,20,21)/t13-/m1/s1.
What are the key properties of (2E,5R)-5-[(2-chlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
(2E,5R)-5-[(2-chlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one has a molecular weight of 331.83 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5R)-5-[(2-chlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135665258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).