(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione

C38H33N5O6S4 — CID 159376917

IUPAC(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
SMILESCC(C)N1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3C)o2)C1=O
InChIInChI=1S/C19H17N3O3S2.C19H16N2O3S2/c1-11(2)22-17(23)15(26-19(22)24)10-12-8-9-16(25-12)27-18-20-13-6-4-5-7-14(13)21(18)3;1-11(2)21-18(22)15(25-19(21)23)10-13-7-8-17(24-13)26-16-9-12-5-3-4-6-14(12)20-16/h4-11H,1-3H3;3-8,10-11H,9H2,1-2H3/b2*15-10-
InChIKeyLKKZICGZLJCWPX-ATYWOXDRSA-N
MW783.98 g/mol
LogP9.86
Rot. Bonds7

About (5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione

(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione (PubChem CID 159376917) has the molecular formula C38H33N5O6S4 and a molecular weight of 783.98 g/mol. Its IUPAC name is (5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
PubChem CID159376917
Molecular FormulaC38H33N5O6S4
Molecular Weight783.98 g/mol
Exact Mass783.13
IUPAC Name(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
SMILESCC(C)N1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3C)o2)C1=O
InChIInChI=1S/C19H17N3O3S2.C19H16N2O3S2/c1-11(2)22-17(23)15(26-19(22)24)10-12-8-9-16(25-12)27-18-20-13-6-4-5-7-14(13)21(18)3;1-11(2)21-18(22)15(25-19(21)23)10-13-7-8-17(24-13)26-16-9-12-5-3-4-6-14(12)20-16/h4-11H,1-3H3;3-8,10-11H,9H2,1-2H3/b2*15-10-
InChIKeyLKKZICGZLJCWPX-ATYWOXDRSA-N
XLogP9.86
TPSA131.22 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500783.98
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze (5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

5-{[5-(1H-benzimidazol-2-ylsulfanyl)-2-furyl]methylene}-3-sec-butyl-1,3-thiazolidine-2,4-dione
CID 6151198
(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)-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
(Z)-3-isopropyl-5-((5-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)furan-2-yl)methylene)thiazolidine-2, 4-dione
CID 121395560
(5Z)-5-[[5-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 121395592
(Z)-1-(3-(5-((5-((1H-benzo[d]imidazol-2-yl)thio)furan-2-yl)methylene)-2, 4-dioxothiazolidin-3-yl)propyl)-3-phenylurea
CID 121395596
(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-butan-2-yl-1,3-thiazolidine-2,4-dione
CID 121406423
2-{[5-(phenylthio)-2-furyl]methylene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
CID 1365914
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]pentanamide
CID 155520257
4-benzoyl-N-[3-[2-[5-[(Z)-(3-but-3-ynyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]propyl]benzamide
CID 121395548

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione (CID 159376917) is (5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione is CC(C)N1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3C)o2)C1=O.
What is the InChIKey of (5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The InChIKey is LKKZICGZLJCWPX-ATYWOXDRSA-N. The full InChI is InChI=1S/C19H17N3O3S2.C19H16N2O3S2/c1-11(2)22-17(23)15(26-19(22)24)10-12-8-9-16(25-12)27-18-20-13-6-4-5-7-14(13)21(18)3;1-11(2)21-18(22)15(25-19(21)23)10-13-7-8-17(24-13)26-16-9-12-5-3-4-6-14(12)20-16/h4-11H,1-3H3;3-8,10-11H,9H2,1-2H3/b2*15-10-.
What are the key properties of (5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione has a molecular weight of 783.98 g/mol, XLogP of 9.86, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 159376917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).