methyl (2Z)-2-[(2E)-2-(5-ethylsulfanylimidazol-4-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate

C11H11N3O3S2 — CID 135766891

IUPACmethyl (2Z)-2-[(2E)-2-(5-ethylsulfanylimidazol-4-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate
SMILESCCSC1=NC=N/C1=c1\[nH]c(=O)/c(=C/C(=O)OC)s1
InChIInChI=1S/C11H11N3O3S2/c1-3-18-10-8(12-5-13-10)11-14-9(16)6(19-11)4-7(15)17-2/h4-5H,3H2,1-2H3,(H,14,16)/b6-4-,11-8+
InChIKeyHNPVQYSOHFYHGI-XSMBNUTRSA-N
MW297.36 g/mol
LogP-0.31
Rot. Bonds2

About methyl (2Z)-2-[(2E)-2-(5-ethylsulfanylimidazol-4-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate

methyl (2Z)-2-[(2E)-2-(5-ethylsulfanylimidazol-4-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate (PubChem CID 135766891) has the molecular formula C11H11N3O3S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is methyl (2Z)-2-[(2E)-2-(5-ethylsulfanylimidazol-4-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(2E)-2-(5-ethylsulfanylimidazol-4-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate
PubChem CID135766891
Molecular FormulaC11H11N3O3S2
Molecular Weight297.36 g/mol
Exact Mass297.02
IUPAC Namemethyl (2Z)-2-[(2E)-2-(5-ethylsulfanylimidazol-4-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate
SMILESCCSC1=NC=N/C1=c1\[nH]c(=O)/c(=C/C(=O)OC)s1
InChIInChI=1S/C11H11N3O3S2/c1-3-18-10-8(12-5-13-10)11-14-9(16)6(19-11)4-7(15)17-2/h4-5H,3H2,1-2H3,(H,14,16)/b6-4-,11-8+
InChIKeyHNPVQYSOHFYHGI-XSMBNUTRSA-N
XLogP-0.31
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[(2E)-2-(5-ethylsulfanylimidazol-4-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[(2E)-2-(5-ethylsulfanylimidazol-4-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate (CID 135766891) is methyl (2Z)-2-[(2E)-2-(5-ethylsulfanylimidazol-4-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[(2E)-2-(5-ethylsulfanylimidazol-4-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[(2E)-2-(5-ethylsulfanylimidazol-4-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate is CCSC1=NC=N/C1=c1\[nH]c(=O)/c(=C/C(=O)OC)s1.
What is the InChIKey of methyl (2Z)-2-[(2E)-2-(5-ethylsulfanylimidazol-4-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
The InChIKey is HNPVQYSOHFYHGI-XSMBNUTRSA-N. The full InChI is InChI=1S/C11H11N3O3S2/c1-3-18-10-8(12-5-13-10)11-14-9(16)6(19-11)4-7(15)17-2/h4-5H,3H2,1-2H3,(H,14,16)/b6-4-,11-8+.
What are the key properties of methyl (2Z)-2-[(2E)-2-(5-ethylsulfanylimidazol-4-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
methyl (2Z)-2-[(2E)-2-(5-ethylsulfanylimidazol-4-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate has a molecular weight of 297.36 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[(2E)-2-(5-ethylsulfanylimidazol-4-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate is sourced from PubChem (CID 135766891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).