methyl 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)acetate

C10H14N2O3S — CID 3604172

IUPACmethyl 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)acetate
SMILESCC/N=C1\SC(=CC(=O)OC)C(=O)N1CC
InChIInChI=1S/C10H14N2O3S/c1-4-11-10-12(5-2)9(14)7(16-10)6-8(13)15-3/h6H,4-5H2,1-3H3/b7-6?,11-10-
InChIKeyVERPJSITITWXSK-GHFUGENESA-N
MW242.30 g/mol
LogP1.01
Rot. Bonds3

About methyl 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)acetate

methyl 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)acetate (PubChem CID 3604172) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is methyl 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)acetate
PubChem CID3604172
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Namemethyl 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)acetate
SMILESCC/N=C1\SC(=CC(=O)OC)C(=O)N1CC
InChIInChI=1S/C10H14N2O3S/c1-4-11-10-12(5-2)9(14)7(16-10)6-8(13)15-3/h6H,4-5H2,1-3H3/b7-6?,11-10-
InChIKeyVERPJSITITWXSK-GHFUGENESA-N
XLogP1.01
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.01
H-Bond Donors ≤ 50
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

ethyl (3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2(3H)-ylidene)acetate
CID 745472
(E)-methyl 2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2(3H)-ylidene)acetate
CID 745469
methyl 3-ethyl-2-(ethylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
CID 1518670
methyl (2Z)-3-butyl-2-(butylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
CID 3240601
methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
CID 3244870
Methyl 3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxylate
CID 611764
methyl (2Z)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2(3H)-ylidene)ethanoate
CID 745470
Methyl 5-oxo-2,3-dihydro-5H-imidazo(2,1-b)(1,3)thiazine-7-carboxylate
CID 332464
Methyl 2-(dimethylamino)-4-oxo-1,3-thiazine-6-carboxylate
CID 12448563
[3-Methyl-2-[(e)-methylimino]-4-oxo-thiazolidin-(5z)-ylidene]-acetic acid methyl ester
CID 12704052
(e)-4-[3-Oxo-5,6,7,8-tetrahydro-thiazolo[3,2-a][1,3]diazepin-(2z)-ylidene]-but-2-enoic acid methyl ester
CID 129828038
Ethyl 3,4-dihydro-3-methyl-2-(methylimino)-4-oxo-2h-1,3-thiazine-6-carboxylate
CID 129841613

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)acetate?
The IUPAC name of methyl 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)acetate (CID 3604172) is methyl 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)acetate.
What is the SMILES notation for methyl 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)acetate?
The canonical SMILES for methyl 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)acetate is CC/N=C1\SC(=CC(=O)OC)C(=O)N1CC.
What is the InChIKey of methyl 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)acetate?
The InChIKey is VERPJSITITWXSK-GHFUGENESA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-4-11-10-12(5-2)9(14)7(16-10)6-8(13)15-3/h6H,4-5H2,1-3H3/b7-6?,11-10-.
What are the key properties of methyl 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)acetate?
methyl 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)acetate has a molecular weight of 242.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)acetate is sourced from PubChem (CID 3604172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).