methyl (2Z)-2-[2-ethylimino-3-[2-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate

C18H22N4O6S2 — CID 139234608

IUPACmethyl (2Z)-2-[2-ethylimino-3-[2-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
SMILESCC/N=C1\S/C(=C\C(=O)OC)C(=O)N1CCN1C(=O)/C(=C/C(=O)OC)S/C1=N\CC
InChIInChI=1S/C18H22N4O6S2/c1-5-19-17-21(15(25)11(29-17)9-13(23)27-3)7-8-22-16(26)12(10-14(24)28-4)30-18(22)20-6-2/h9-10H,5-8H2,1-4H3/b11-9-,12-10-,19-17-,20-18-
InChIKeyFMLNGVVMPKUZOP-DTEYNITASA-N
MW454.53 g/mol
LogP1.00
Rot. Bonds7

About methyl (2Z)-2-[2-ethylimino-3-[2-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate

methyl (2Z)-2-[2-ethylimino-3-[2-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate (PubChem CID 139234608) has the molecular formula C18H22N4O6S2 and a molecular weight of 454.53 g/mol. Its IUPAC name is methyl (2Z)-2-[2-ethylimino-3-[2-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[2-ethylimino-3-[2-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
PubChem CID139234608
Molecular FormulaC18H22N4O6S2
Molecular Weight454.53 g/mol
Exact Mass454.10
IUPAC Namemethyl (2Z)-2-[2-ethylimino-3-[2-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
SMILESCC/N=C1\S/C(=C\C(=O)OC)C(=O)N1CCN1C(=O)/C(=C/C(=O)OC)S/C1=N\CC
InChIInChI=1S/C18H22N4O6S2/c1-5-19-17-21(15(25)11(29-17)9-13(23)27-3)7-8-22-16(26)12(10-14(24)28-4)30-18(22)20-6-2/h9-10H,5-8H2,1-4H3/b11-9-,12-10-,19-17-,20-18-
InChIKeyFMLNGVVMPKUZOP-DTEYNITASA-N
XLogP1.00
TPSA117.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze methyl (2Z)-2-[2-ethylimino-3-[2-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[2-ethylimino-3-[2-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[2-ethylimino-3-[2-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate (CID 139234608) is methyl (2Z)-2-[2-ethylimino-3-[2-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[2-ethylimino-3-[2-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[2-ethylimino-3-[2-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate is CC/N=C1\S/C(=C\C(=O)OC)C(=O)N1CCN1C(=O)/C(=C/C(=O)OC)S/C1=N\CC.
What is the InChIKey of methyl (2Z)-2-[2-ethylimino-3-[2-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
The InChIKey is FMLNGVVMPKUZOP-DTEYNITASA-N. The full InChI is InChI=1S/C18H22N4O6S2/c1-5-19-17-21(15(25)11(29-17)9-13(23)27-3)7-8-22-16(26)12(10-14(24)28-4)30-18(22)20-6-2/h9-10H,5-8H2,1-4H3/b11-9-,12-10-,19-17-,20-18-.
What are the key properties of methyl (2Z)-2-[2-ethylimino-3-[2-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
methyl (2Z)-2-[2-ethylimino-3-[2-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate has a molecular weight of 454.53 g/mol, XLogP of 1.00, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[2-ethylimino-3-[2-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate is sourced from PubChem (CID 139234608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).