methyl 2-[2-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate

C19H17N3O5S — CID 661715

IUPACmethyl 2-[2-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
SMILESCOC(=O)C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H17N3O5S/c1-26-16(23)11-15-18(25)22(13-5-3-2-4-6-13)19(28-15)14(12-20)17(24)21-7-9-27-10-8-21/h2-6,11H,7-10H2,1H3
InChIKeyQLWYDLVNQHQISZ-UHFFFAOYSA-N
MW399.43 g/mol
LogP-0.61
Rot. Bonds3

About methyl 2-[2-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate

methyl 2-[2-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate (PubChem CID 661715) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is methyl 2-[2-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
PubChem CID661715
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Namemethyl 2-[2-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
SMILESCOC(=O)C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H17N3O5S/c1-26-16(23)11-15-18(25)22(13-5-3-2-4-6-13)19(28-15)14(12-20)17(24)21-7-9-27-10-8-21/h2-6,11H,7-10H2,1H3
InChIKeyQLWYDLVNQHQISZ-UHFFFAOYSA-N
XLogP-0.61
TPSA101.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[2-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate with MolForge

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Related Compounds

(2Z)-2-(4-methyl-3-phenyl-1,3-thiazol-2(3H)-ylidene)-3-(morpholin-4-yl)-3-oxopropanenitrile
CID 1978203
Ethyl 2-cyano-2-(3-ethyl-5-((2-fluorophenylamino)methylene)-4-oxothiazolidin-2-ylidene)acetate
CID 44579008
Ethyl 2-cyano-2-(3-ethyl-5-((4-(2-methoxyacetamido)phenylamino)methylene)-4-oxothiazolidin-2-ylidene)acetate
CID 44579245
methyl (2E)-{(2Z)-2-[2-(benzylamino)-1-cyano-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene}ethanoate
CID 1194132
methyl (2E)-{(2Z)-2-[1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene}ethanoate
CID 1862881
(E)-methyl 2-((Z)-2-(1-cyano-2-morpholino-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate
CID 1865013
(Z)-ethyl 2-((E)-2-(1-cyano-2-(methylamino)-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate
CID 1867503
(E)-methyl 2-((Z)-2-(1-cyano-2-(methylamino)-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate
CID 1868305
ethyl cyano[3-ethyl-5-(1-ethyl-2(1H)-quinolinylidene)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2257740
(E)-ethyl 2-cyano-2-((Z)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate
CID 7005958
(Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate
CID 951448
(E)-ethyl 2-cyano-2-((Z)-5-(2-ethoxy-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-2-ylidene)acetate
CID 1855356

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
The IUPAC name of methyl 2-[2-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate (CID 661715) is methyl 2-[2-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate.
What is the SMILES notation for methyl 2-[2-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
The canonical SMILES for methyl 2-[2-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate is COC(=O)C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccccc2)c1=O.
What is the InChIKey of methyl 2-[2-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
The InChIKey is QLWYDLVNQHQISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c1-26-16(23)11-15-18(25)22(13-5-3-2-4-6-13)19(28-15)14(12-20)17(24)21-7-9-27-10-8-21/h2-6,11H,7-10H2,1H3.
What are the key properties of methyl 2-[2-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
methyl 2-[2-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate has a molecular weight of 399.43 g/mol, XLogP of -0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate is sourced from PubChem (CID 661715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).