(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione

C19H17N3O3S2 — CID 121395560

IUPAC(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(Sc3nc4ccccc4n3C)o2)C1=O
InChIInChI=1S/C19H17N3O3S2/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/h4-11H,1-3H3/b15-10-
InChIKeyDMXYORIUGOGMCG-GDNBJRDFSA-N
MW399.50 g/mol
LogP4.76
Rot. Bonds4

About (5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-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 121395560) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is (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-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
PubChem CID121395560
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC Name(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(Sc3nc4ccccc4n3C)o2)C1=O
InChIInChI=1S/C19H17N3O3S2/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/h4-11H,1-3H3/b15-10-
InChIKeyDMXYORIUGOGMCG-GDNBJRDFSA-N
XLogP4.76
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[(5-iodofuran-2-yl)methylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
CID 6160175
N'-(3-(2-Furyl)-2-propenylidene)2((1-ME-1H-benzimidazol-2-YL)thio)acetohydrazide
CID 9635427
(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
(2Z)-2-(2-furylmethylene)thiazolo[3,2-a]benzimidazol-1-one
CID 1555814
(2Z)-2-[(5-bromofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 6228590
2-[(1-ethyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[(1E,2E)-3-(furan-2-yl)prop-2-en-1-ylidene]acetohydrazide
CID 9552852
(1-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid (3-furan-2-yl-allylidene)-hydrazide
CID 9594506
4-(1-methylbenzimidazol-2-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine
CID 162647467
2-[(1E)-2-(1-butylbenzimidazol-2-yl)vinyl]furan
CID 5930922

Frequently Asked Questions

What is the IUPAC name of (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-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione (CID 121395560) is (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-(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-(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(Sc3nc4ccccc4n3C)o2)C1=O.
What is the InChIKey of (5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The InChIKey is DMXYORIUGOGMCG-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H17N3O3S2/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/h4-11H,1-3H3/b15-10-.
What are the key properties of (5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-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 399.50 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 121395560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).