(5Z)-5-[[5-[[6-[[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]-1H-benzimidazol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione

C33H22N6O6S4 — CID 145098801

IUPAC(5Z)-5-[[5-[[6-[[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]-1H-benzimidazol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)S/C(=C\c2ccc(Sc3nc4ccc(CN5C(=O)S/C(=C\c6ccc(Sc7nc8ccccc8[nH]7)o6)C5=O)cc4[nH]3)o2)C1=O
InChIInChI=1S/C33H22N6O6S4/c1-2-38-28(40)24(46-32(38)42)14-18-8-12-27(44-18)49-31-36-22-10-7-17(13-23(22)37-31)16-39-29(41)25(47-33(39)43)15-19-9-11-26(45-19)48-30-34-20-5-3-4-6-21(20)35-30/h3-15H,2,16H2,1H3,(H,34,35)(H,36,37)/b24-14-,25-15-
InChIKeySCVKFEKLPQRIAU-MQDDAKQZSA-N
MW726.84 g/mol
LogP8.22
Rot. Bonds9

About (5Z)-5-[[5-[[6-[[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]-1H-benzimidazol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione

(5Z)-5-[[5-[[6-[[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]-1H-benzimidazol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione (PubChem CID 145098801) has the molecular formula C33H22N6O6S4 and a molecular weight of 726.84 g/mol. Its IUPAC name is (5Z)-5-[[5-[[6-[[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]-1H-benzimidazol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-[[6-[[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]-1H-benzimidazol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
PubChem CID145098801
Molecular FormulaC33H22N6O6S4
Molecular Weight726.84 g/mol
Exact Mass726.05
IUPAC Name(5Z)-5-[[5-[[6-[[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]-1H-benzimidazol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)S/C(=C\c2ccc(Sc3nc4ccc(CN5C(=O)S/C(=C\c6ccc(Sc7nc8ccccc8[nH]7)o6)C5=O)cc4[nH]3)o2)C1=O
InChIInChI=1S/C33H22N6O6S4/c1-2-38-28(40)24(46-32(38)42)14-18-8-12-27(44-18)49-31-36-22-10-7-17(13-23(22)37-31)16-39-29(41)25(47-33(39)43)15-19-9-11-26(45-19)48-30-34-20-5-3-4-6-21(20)35-30/h3-15H,2,16H2,1H3,(H,34,35)(H,36,37)/b24-14-,25-15-
InChIKeySCVKFEKLPQRIAU-MQDDAKQZSA-N
XLogP8.22
TPSA158.40 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500726.84
LogP ≤ 58.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (5Z)-5-[[5-[[6-[[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]-1H-benzimidazol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

(5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 2187558
(5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 2189117
5-{[5-(1H-benzimidazol-2-ylsulfanyl)-2-furyl]methylene}-3-sec-butyl-1,3-thiazolidine-2,4-dione
CID 6151198
(5E)-5-{[5-(1H-benzimidazol-2-ylthio)-2-furyl]methylene}-3-isopropyl-1,3-thiazolidine-2,4-dione
CID 7326481
(Z)-5-((5-((1H-benzo[d]imidazol-2-yl)thio)furan-2-yl)methylene)-3-isopropylthiazolidine-2,4-dione
CID 92976742
N-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanyl-3H-benzimidazol-5-yl]acetamide
CID 121395553
(5Z)-3-propan-2-yl-5-[[5-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 121395564
(5Z)-5-[[6-(1H-benzimidazol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 121395575
(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione
CID 121395616
(5Z)-3-propan-2-yl-5-[[5-[(6-propan-2-yl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 121395636
(Z)-N-(2-((5-((3-isopropyl-2, 4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)thio)-1H-benzo[d]imidazol-6-yl)benzamide
CID 121395638
(5Z)-5-[[5-[(6-acetyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 121396279

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-[[6-[[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]-1H-benzimidazol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-[[6-[[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]-1H-benzimidazol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione (CID 145098801) is (5Z)-5-[[5-[[6-[[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]-1H-benzimidazol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-[[6-[[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]-1H-benzimidazol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-[[6-[[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]-1H-benzimidazol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione is CCN1C(=O)S/C(=C\c2ccc(Sc3nc4ccc(CN5C(=O)S/C(=C\c6ccc(Sc7nc8ccccc8[nH]7)o6)C5=O)cc4[nH]3)o2)C1=O.
What is the InChIKey of (5Z)-5-[[5-[[6-[[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]-1H-benzimidazol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione?
The InChIKey is SCVKFEKLPQRIAU-MQDDAKQZSA-N. The full InChI is InChI=1S/C33H22N6O6S4/c1-2-38-28(40)24(46-32(38)42)14-18-8-12-27(44-18)49-31-36-22-10-7-17(13-23(22)37-31)16-39-29(41)25(47-33(39)43)15-19-9-11-26(45-19)48-30-34-20-5-3-4-6-21(20)35-30/h3-15H,2,16H2,1H3,(H,34,35)(H,36,37)/b24-14-,25-15-.
What are the key properties of (5Z)-5-[[5-[[6-[[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]-1H-benzimidazol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[5-[[6-[[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]-1H-benzimidazol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione has a molecular weight of 726.84 g/mol, XLogP of 8.22, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-[[6-[[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]-1H-benzimidazol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 145098801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).