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

C19H24N4O6S2 — CID 139234611

IUPACmethyl (2Z)-2-[2-ethylimino-3-[3-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
SMILESCC/N=C1\S/C(=C\C(=O)OC)C(=O)N1CCCN1C(=O)/C(=C/C(=O)OC)S/C1=N\CC
InChIInChI=1S/C19H24N4O6S2/c1-5-20-18-22(16(26)12(30-18)10-14(24)28-3)8-7-9-23-17(27)13(11-15(25)29-4)31-19(23)21-6-2/h10-11H,5-9H2,1-4H3/b12-10-,13-11-,20-18-,21-19-
InChIKeyLKCLDVIQMAYMBS-TVFDHOJRSA-N
MW468.56 g/mol
LogP1.39
Rot. Bonds8

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

methyl (2Z)-2-[2-ethylimino-3-[3-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate (PubChem CID 139234611) has the molecular formula C19H24N4O6S2 and a molecular weight of 468.56 g/mol. Its IUPAC name is methyl (2Z)-2-[2-ethylimino-3-[3-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[2-ethylimino-3-[3-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
PubChem CID139234611
Molecular FormulaC19H24N4O6S2
Molecular Weight468.56 g/mol
Exact Mass468.11
IUPAC Namemethyl (2Z)-2-[2-ethylimino-3-[3-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
SMILESCC/N=C1\S/C(=C\C(=O)OC)C(=O)N1CCCN1C(=O)/C(=C/C(=O)OC)S/C1=N\CC
InChIInChI=1S/C19H24N4O6S2/c1-5-20-18-22(16(26)12(30-18)10-14(24)28-3)8-7-9-23-17(27)13(11-15(25)29-4)31-19(23)21-6-2/h10-11H,5-9H2,1-4H3/b12-10-,13-11-,20-18-,21-19-
InChIKeyLKCLDVIQMAYMBS-TVFDHOJRSA-N
XLogP1.39
TPSA117.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 51.39
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-[3-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl]-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-[3-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[2-ethylimino-3-[3-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate (CID 139234611) is methyl (2Z)-2-[2-ethylimino-3-[3-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[2-ethylimino-3-[3-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[2-ethylimino-3-[3-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate is CC/N=C1\S/C(=C\C(=O)OC)C(=O)N1CCCN1C(=O)/C(=C/C(=O)OC)S/C1=N\CC.
What is the InChIKey of methyl (2Z)-2-[2-ethylimino-3-[3-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
The InChIKey is LKCLDVIQMAYMBS-TVFDHOJRSA-N. The full InChI is InChI=1S/C19H24N4O6S2/c1-5-20-18-22(16(26)12(30-18)10-14(24)28-3)8-7-9-23-17(27)13(11-15(25)29-4)31-19(23)21-6-2/h10-11H,5-9H2,1-4H3/b12-10-,13-11-,20-18-,21-19-.
What are the key properties of methyl (2Z)-2-[2-ethylimino-3-[3-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
methyl (2Z)-2-[2-ethylimino-3-[3-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate has a molecular weight of 468.56 g/mol, XLogP of 1.39, 8 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-[3-[(5Z)-2-ethylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate is sourced from PubChem (CID 139234611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).