(5Z)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

C16H10N2O4S2 — CID 24619230

IUPAC(5Z)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2cccs2)C(=O)N1Cc1cc(-c2ccco2)on1
InChIInChI=1S/C16H10N2O4S2/c19-15-14(8-11-3-2-6-23-11)24-16(20)18(15)9-10-7-13(22-17-10)12-4-1-5-21-12/h1-8H,9H2/b14-8-
InChIKeyRURNFNADJRYWSP-ZSOIEALJSA-N
MW358.40 g/mol
LogP4.23
Rot. Bonds4

About (5Z)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5Z)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 24619230) has the molecular formula C16H10N2O4S2 and a molecular weight of 358.40 g/mol. Its IUPAC name is (5Z)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID24619230
Molecular FormulaC16H10N2O4S2
Molecular Weight358.40 g/mol
Exact Mass358.01
IUPAC Name(5Z)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2cccs2)C(=O)N1Cc1cc(-c2ccco2)on1
InChIInChI=1S/C16H10N2O4S2/c19-15-14(8-11-3-2-6-23-11)24-16(20)18(15)9-10-7-13(22-17-10)12-4-1-5-21-12/h1-8H,9H2/b14-8-
InChIKeyRURNFNADJRYWSP-ZSOIEALJSA-N
XLogP4.23
TPSA76.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.23
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

(5E)-3-[(3-bromophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 126172216
4-[2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoic acid
CID 4273185
4-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoic acid
CID 2026565
(5Z)-3-[(1-butyltetrazol-5-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18145348
(5Z)-3-[(1-benzylimidazol-2-yl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 134001581
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one
CID 24609407
N-cyclopropyl-2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetamide
CID 42261514
(5E)-3-[(4-fluorophenyl)methyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1231285
5-bromo-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyridin-2-one
CID 26685597
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 53398902
(5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 42263045
(5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 43018863

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 24619230) is (5Z)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2cccs2)C(=O)N1Cc1cc(-c2ccco2)on1.
What is the InChIKey of (5Z)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is RURNFNADJRYWSP-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H10N2O4S2/c19-15-14(8-11-3-2-6-23-11)24-16(20)18(15)9-10-7-13(22-17-10)12-4-1-5-21-12/h1-8H,9H2/b14-8-.
What are the key properties of (5Z)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 358.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 24619230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).