(5Z)-2-imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

C17H10N4O4S2 — CID 5292591

IUPAC(5Z)-2-imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1nccs1
InChIInChI=1S/C17H10N4O4S2/c18-16-20(17-19-7-8-26-17)15(22)14(27-16)9-12-5-6-13(25-12)10-1-3-11(4-2-10)21(23)24/h1-9,18H/b14-9-,18-16-
InChIKeyGWKKWKRFTOLTCW-BSYVZCAJSA-N
MW398.43 g/mol
LogP4.37
Rot. Bonds4

About (5Z)-2-imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

(5Z)-2-imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 5292591) has the molecular formula C17H10N4O4S2 and a molecular weight of 398.43 g/mol. Its IUPAC name is (5Z)-2-imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID5292591
Molecular FormulaC17H10N4O4S2
Molecular Weight398.43 g/mol
Exact Mass398.01
IUPAC Name(5Z)-2-imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1nccs1
InChIInChI=1S/C17H10N4O4S2/c18-16-20(17-19-7-8-26-17)15(22)14(27-16)9-12-5-6-13(25-12)10-1-3-11(4-2-10)21(23)24/h1-9,18H/b14-9-,18-16-
InChIKeyGWKKWKRFTOLTCW-BSYVZCAJSA-N
XLogP4.37
TPSA113.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 5292591) is (5Z)-2-imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1nccs1.
What is the InChIKey of (5Z)-2-imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is GWKKWKRFTOLTCW-BSYVZCAJSA-N. The full InChI is InChI=1S/C17H10N4O4S2/c18-16-20(17-19-7-8-26-17)15(22)14(27-16)9-12-5-6-13(25-12)10-1-3-11(4-2-10)21(23)24/h1-9,18H/b14-9-,18-16-.
What are the key properties of (5Z)-2-imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
(5Z)-2-imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 398.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5292591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).