methyl (2Z)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate

C12H10N2O3S — CID 139237246

IUPACmethyl (2Z)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate
SMILES[H]/N=C1\S/C(=C\C(=O)OC)C(=O)N1c1ccccc1
InChIInChI=1S/C12H10N2O3S/c1-17-10(15)7-9-11(16)14(12(13)18-9)8-5-3-2-4-6-8/h2-7,13H,1H3/b9-7-,13-12-
InChIKeyYQSUJUYTFAKNET-VCGFVGGHSA-N
MW262.29 g/mol
LogP1.76
Rot. Bonds2

About methyl (2Z)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate

methyl (2Z)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate (PubChem CID 139237246) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is methyl (2Z)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate
PubChem CID139237246
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Namemethyl (2Z)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate
SMILES[H]/N=C1\S/C(=C\C(=O)OC)C(=O)N1c1ccccc1
InChIInChI=1S/C12H10N2O3S/c1-17-10(15)7-9-11(16)14(12(13)18-9)8-5-3-2-4-6-8/h2-7,13H,1H3/b9-7-,13-12-
InChIKeyYQSUJUYTFAKNET-VCGFVGGHSA-N
XLogP1.76
TPSA70.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-3-(4-chlorophenyl)-2-imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 16633322
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
(5E)-5-[(4-chlorophenyl)methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6342893
methyl (2E)-2-[2-(naphthalene-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
CID 90668344
(5Z)-2-imino-3-(3-methylphenyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 16633228
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 16633155
methyl 2-[2-[(4-nitrophenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
CID 73262756
ethyl 4-[(5Z)-5-(anthracen-9-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzoate
CID 16633477
4-[(5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 18824600
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16627109
2-[4-chloro-2-[(Z)-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 16633143

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate (CID 139237246) is methyl (2Z)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate is [H]/N=C1\S/C(=C\C(=O)OC)C(=O)N1c1ccccc1.
What is the InChIKey of methyl (2Z)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate?
The InChIKey is YQSUJUYTFAKNET-VCGFVGGHSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-17-10(15)7-9-11(16)14(12(13)18-9)8-5-3-2-4-6-8/h2-7,13H,1H3/b9-7-,13-12-.
What are the key properties of methyl (2Z)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate?
methyl (2Z)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate has a molecular weight of 262.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate is sourced from PubChem (CID 139237246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).