methyl (2E)-2-[3-(4-chlorophenyl)-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]acetate

C17H12ClN3O3S — CID 6976743

IUPACmethyl (2E)-2-[3-(4-chlorophenyl)-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]acetate
SMILESCOC(=O)/C=C1/SC(=Nc2ccccn2)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H12ClN3O3S/c1-24-15(22)10-13-16(23)21(12-7-5-11(18)6-8-12)17(25-13)20-14-4-2-3-9-19-14/h2-10H,1H3/b13-10+,20-17?
InChIKeyJLMFNNUVHVITRV-VGMPPWMTSA-N
MW373.82 g/mol
LogP3.56
Rot. Bonds3

About methyl (2E)-2-[3-(4-chlorophenyl)-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]acetate

methyl (2E)-2-[3-(4-chlorophenyl)-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]acetate (PubChem CID 6976743) has the molecular formula C17H12ClN3O3S and a molecular weight of 373.82 g/mol. Its IUPAC name is methyl (2E)-2-[3-(4-chlorophenyl)-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2E)-2-[3-(4-chlorophenyl)-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]acetate
PubChem CID6976743
Molecular FormulaC17H12ClN3O3S
Molecular Weight373.82 g/mol
Exact Mass373.03
IUPAC Namemethyl (2E)-2-[3-(4-chlorophenyl)-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]acetate
SMILESCOC(=O)/C=C1/SC(=Nc2ccccn2)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H12ClN3O3S/c1-24-15(22)10-13-16(23)21(12-7-5-11(18)6-8-12)17(25-13)20-14-4-2-3-9-19-14/h2-10H,1H3/b13-10+,20-17?
InChIKeyJLMFNNUVHVITRV-VGMPPWMTSA-N
XLogP3.56
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (2E)-2-[3-(4-chlorophenyl)-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]acetate with MolForge

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Related Compounds

methyl (2E)-2-[4-oxo-2-pyridin-2-ylimino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]acetate
CID 6976738
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842037
(2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842032
(2E,5Z)-3-phenyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842113
(2E,5E)-5-[(1-methylpyrrol-2-yl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842073
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
CID 139670007
methyl 2-[4-oxo-3-phenyl-2-(2-phenylacetyl)imino-1,3-thiazolidin-5-ylidene]acetate
CID 139669909
ethyl 5-[[5-(2-methoxy-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate
CID 1497119
methyl (2E)-2-[3-(3-chlorophenyl)-2-(4-methylbenzoyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 90668337
ethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate
CID 102361310
methyl (2E)-2-[3-(4-methoxyphenyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-ylidene]acetate
CID 2719217
methyl (2E)-2-[2-(naphthalene-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
CID 90668344

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-[3-(4-chlorophenyl)-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]acetate?
The IUPAC name of methyl (2E)-2-[3-(4-chlorophenyl)-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]acetate (CID 6976743) is methyl (2E)-2-[3-(4-chlorophenyl)-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]acetate.
What is the SMILES notation for methyl (2E)-2-[3-(4-chlorophenyl)-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]acetate?
The canonical SMILES for methyl (2E)-2-[3-(4-chlorophenyl)-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]acetate is COC(=O)/C=C1/SC(=Nc2ccccn2)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of methyl (2E)-2-[3-(4-chlorophenyl)-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]acetate?
The InChIKey is JLMFNNUVHVITRV-VGMPPWMTSA-N. The full InChI is InChI=1S/C17H12ClN3O3S/c1-24-15(22)10-13-16(23)21(12-7-5-11(18)6-8-12)17(25-13)20-14-4-2-3-9-19-14/h2-10H,1H3/b13-10+,20-17?.
What are the key properties of methyl (2E)-2-[3-(4-chlorophenyl)-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]acetate?
methyl (2E)-2-[3-(4-chlorophenyl)-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]acetate has a molecular weight of 373.82 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-[3-(4-chlorophenyl)-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]acetate is sourced from PubChem (CID 6976743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).