5-[(2-amino-4-pyridinyl)methyl]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one

C18H20N4OS — CID 134140875

IUPAC5-[(2-amino-4-pyridinyl)methyl]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCCc1ccc(/N=C2\SC(Cc3ccnc(N)c3)C(=O)N2C)cc1
InChIInChI=1S/C18H20N4OS/c1-3-12-4-6-14(7-5-12)21-18-22(2)17(23)15(24-18)10-13-8-9-20-16(19)11-13/h4-9,11,15H,3,10H2,1-2H3,(H2,19,20)/b21-18-
InChIKeyJEGMTPLIFSTUJN-UZYVYHOESA-N
MW340.45 g/mol
LogP3.03
Rot. Bonds4

About 5-[(2-amino-4-pyridinyl)methyl]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one

5-[(2-amino-4-pyridinyl)methyl]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one (PubChem CID 134140875) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 5-[(2-amino-4-pyridinyl)methyl]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(2-amino-4-pyridinyl)methyl]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
PubChem CID134140875
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name5-[(2-amino-4-pyridinyl)methyl]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCCc1ccc(/N=C2\SC(Cc3ccnc(N)c3)C(=O)N2C)cc1
InChIInChI=1S/C18H20N4OS/c1-3-12-4-6-14(7-5-12)21-18-22(2)17(23)15(24-18)10-13-8-9-20-16(19)11-13/h4-9,11,15H,3,10H2,1-2H3,(H2,19,20)/b21-18-
InChIKeyJEGMTPLIFSTUJN-UZYVYHOESA-N
XLogP3.03
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.03
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

Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methylpyridin-2-yl)-3-phenylurea
CID 912947
N-[4-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
CID 972499
1-(4-methylphenyl)-5-oxo-N-2-pyridinyl-3-pyrrolidinecarboxamide
CID 2883423
5-(2-Chloro-benzyl)-2-[(E)-pyridin-2-ylimino]-thiazolidin-4-one
CID 135635832
2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-methylpyridin-2-yl)acetamide
CID 3244018
(2Z,5Z)-2-[(4-ethylphenyl)imino]-3-methyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 5455880
N-(5-methyl-2-pyridinyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 24982388
N-(4-methyl-2-pyridinyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 25161499
3-[[4-[(Z)-[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-pyridinyl]amino]-3-oxopropanoic acid
CID 134137911
3-amino-N-[4-[(Z)-[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-pyridinyl]propanamide
CID 134140976
4-[[4-[(Z)-[2-(4-ethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-pyridinyl]amino]-4-oxobutanoic acid
CID 134142262

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-4-pyridinyl)methyl]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(2-amino-4-pyridinyl)methyl]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one (CID 134140875) is 5-[(2-amino-4-pyridinyl)methyl]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(2-amino-4-pyridinyl)methyl]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(2-amino-4-pyridinyl)methyl]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one is CCc1ccc(/N=C2\SC(Cc3ccnc(N)c3)C(=O)N2C)cc1.
What is the InChIKey of 5-[(2-amino-4-pyridinyl)methyl]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is JEGMTPLIFSTUJN-UZYVYHOESA-N. The full InChI is InChI=1S/C18H20N4OS/c1-3-12-4-6-14(7-5-12)21-18-22(2)17(23)15(24-18)10-13-8-9-20-16(19)11-13/h4-9,11,15H,3,10H2,1-2H3,(H2,19,20)/b21-18-.
What are the key properties of 5-[(2-amino-4-pyridinyl)methyl]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
5-[(2-amino-4-pyridinyl)methyl]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 340.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-4-pyridinyl)methyl]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 134140875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).