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

C11H5N5O6S2 — CID 164609649

IUPAC(5Z)-2-imino-5-[(4-nitrofuran-2-yl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2cc([N+](=O)[O-])co2)C(=O)N1c1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H5N5O6S2/c12-10-14(11-13-3-8(24-11)16(20)21)9(17)7(23-10)2-6-1-5(4-22-6)15(18)19/h1-4,12H/b7-2-,12-10-
InChIKeyRZSWPVDJOGCVPV-PFFHPPHTSA-N
MW367.32 g/mol
LogP2.61
Rot. Bonds4

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

(5Z)-2-imino-5-[(4-nitrofuran-2-yl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 164609649) has the molecular formula C11H5N5O6S2 and a molecular weight of 367.32 g/mol. Its IUPAC name is (5Z)-2-imino-5-[(4-nitrofuran-2-yl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-imino-5-[(4-nitrofuran-2-yl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID164609649
Molecular FormulaC11H5N5O6S2
Molecular Weight367.32 g/mol
Exact Mass366.97
IUPAC Name(5Z)-2-imino-5-[(4-nitrofuran-2-yl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2cc([N+](=O)[O-])co2)C(=O)N1c1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H5N5O6S2/c12-10-14(11-13-3-8(24-11)16(20)21)9(17)7(23-10)2-6-1-5(4-22-6)15(18)19/h1-4,12H/b7-2-,12-10-
InChIKeyRZSWPVDJOGCVPV-PFFHPPHTSA-N
XLogP2.61
TPSA156.47 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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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Related Compounds

(5Z)-2-imino-3-(5-nitro-1,3-thiazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 118732652
(5Z)-5-(furan-2-ylmethylidene)-2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
CID 2176068
6,13-bis(5-nitro-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 153005881
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 1348398
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 2893104
4-[(5Z)-2-imino-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 18824601
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one
CID 2004199
3-ethyl-2-imino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 74041457
(5Z)-2-imino-3-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 16797927
4-[(5Z)-5-(furan-2-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 16633519
2-imino-3-methyl-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 76536956
methyl 3-[5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate
CID 5292190

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-imino-5-[(4-nitrofuran-2-yl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-imino-5-[(4-nitrofuran-2-yl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 164609649) is (5Z)-2-imino-5-[(4-nitrofuran-2-yl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-imino-5-[(4-nitrofuran-2-yl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-imino-5-[(4-nitrofuran-2-yl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2cc([N+](=O)[O-])co2)C(=O)N1c1ncc([N+](=O)[O-])s1.
What is the InChIKey of (5Z)-2-imino-5-[(4-nitrofuran-2-yl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is RZSWPVDJOGCVPV-PFFHPPHTSA-N. The full InChI is InChI=1S/C11H5N5O6S2/c12-10-14(11-13-3-8(24-11)16(20)21)9(17)7(23-10)2-6-1-5(4-22-6)15(18)19/h1-4,12H/b7-2-,12-10-.
What are the key properties of (5Z)-2-imino-5-[(4-nitrofuran-2-yl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
(5Z)-2-imino-5-[(4-nitrofuran-2-yl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 367.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-imino-5-[(4-nitrofuran-2-yl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 164609649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).