(5Z)-3-(4-methylbenzoyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

C17H13NO4S — CID 102169821

IUPAC(5Z)-3-(4-methylbenzoyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(C(=O)N2C(=O)S/C(=C\c3ccc(C)o3)C2=O)cc1
InChIInChI=1S/C17H13NO4S/c1-10-3-6-12(7-4-10)15(19)18-16(20)14(23-17(18)21)9-13-8-5-11(2)22-13/h3-9H,1-2H3/b14-9-
InChIKeyGPMYLJJTBXNKCB-ZROIWOOFSA-N
MW327.36 g/mol
LogP3.77
Rot. Bonds2

About (5Z)-3-(4-methylbenzoyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-(4-methylbenzoyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 102169821) has the molecular formula C17H13NO4S and a molecular weight of 327.36 g/mol. Its IUPAC name is (5Z)-3-(4-methylbenzoyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(4-methylbenzoyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID102169821
Molecular FormulaC17H13NO4S
Molecular Weight327.36 g/mol
Exact Mass327.06
IUPAC Name(5Z)-3-(4-methylbenzoyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(C(=O)N2C(=O)S/C(=C\c3ccc(C)o3)C2=O)cc1
InChIInChI=1S/C17H13NO4S/c1-10-3-6-12(7-4-10)15(19)18-16(20)14(23-17(18)21)9-13-8-5-11(2)22-13/h3-9H,1-2H3/b14-9-
InChIKeyGPMYLJJTBXNKCB-ZROIWOOFSA-N
XLogP3.77
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[(5-methylfuran-2-yl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 2187873
5-[(3-hydroxyphenyl)methylidene]-3-(4-methylbenzoyl)-1,3-thiazolidine-2,4-dione
CID 4246526
5-[(5-methylfuran-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 3448845
methyl 2-[(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 1315037
5-[(5-methylfuran-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 2929956
4-[5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
CID 4760589
4-methyl-3-[(5E)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
CID 7655380
methyl 4-[[(5E)-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 9485316
3-[[2-[(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]propanoic acid
CID 27410027
2-[(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 1365449
3-benzoyl-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 171132370
(5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1290511

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-methylbenzoyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(4-methylbenzoyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 102169821) is (5Z)-3-(4-methylbenzoyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(4-methylbenzoyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(4-methylbenzoyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is Cc1ccc(C(=O)N2C(=O)S/C(=C\c3ccc(C)o3)C2=O)cc1.
What is the InChIKey of (5Z)-3-(4-methylbenzoyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is GPMYLJJTBXNKCB-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H13NO4S/c1-10-3-6-12(7-4-10)15(19)18-16(20)14(23-17(18)21)9-13-8-5-11(2)22-13/h3-9H,1-2H3/b14-9-.
What are the key properties of (5Z)-3-(4-methylbenzoyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(4-methylbenzoyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 327.36 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-methylbenzoyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 102169821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).