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

C14H10N4O4S2 — CID 164621633

IUPAC(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(OC)cc2)C(=O)N1c1ncc([N+](=O)[O-])s1
InChIInChI=1S/C14H10N4O4S2/c1-22-9-4-2-8(3-5-9)6-10-12(19)17(13(15)23-10)14-16-7-11(24-14)18(20)21/h2-7,15H,1H3/b10-6-,15-13-
InChIKeyLSCAPOMEJOPDMD-QHYWRIDHSA-N
MW362.39 g/mol
LogP3.12
Rot. Bonds4

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

(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 164621633) has the molecular formula C14H10N4O4S2 and a molecular weight of 362.39 g/mol. Its IUPAC name is (5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID164621633
Molecular FormulaC14H10N4O4S2
Molecular Weight362.39 g/mol
Exact Mass362.01
IUPAC Name(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(OC)cc2)C(=O)N1c1ncc([N+](=O)[O-])s1
InChIInChI=1S/C14H10N4O4S2/c1-22-9-4-2-8(3-5-9)6-10-12(19)17(13(15)23-10)14-16-7-11(24-14)18(20)21/h2-7,15H,1H3/b10-6-,15-13-
InChIKeyLSCAPOMEJOPDMD-QHYWRIDHSA-N
XLogP3.12
TPSA109.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.12
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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Related Compounds

AR-A014418
CID 448014
(Z)-5-(3,4-dimethoxybenzylidene)-2-imino-3-(thiazol-2-yl)thiazolidin-4-one
CID 1416668
(2E)-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 824523
(2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 135783302
(5Z)-2-imino-3-(5-nitro-1,3-thiazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 118732652
(5Z)-2-imino-3-(5-nitro-1,3-thiazol-2-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 164610663
4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3113439
(2E,5Z)-3-allyl-5-(4-methoxybenzylidene)-2-(thiazol-2-ylimino)thiazolidin-4-one
CID 5546851
(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 1239803
2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 1213003
2-{4-[(4-methoxyphenyl)methylene]-2,5-dioxo(1,3-diazolidinyl)}-N-(1,3-thiazol-2-yl)acetamide
CID 6237681
(z)-2-(4-((2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)-N-(5-nitrothiazol-2-yl)acetamide
CID 46947465

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 164621633) is (5Z)-2-imino-5-[(4-methoxyphenyl)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-methoxyphenyl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(OC)cc2)C(=O)N1c1ncc([N+](=O)[O-])s1.
What is the InChIKey of (5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is LSCAPOMEJOPDMD-QHYWRIDHSA-N. The full InChI is InChI=1S/C14H10N4O4S2/c1-22-9-4-2-8(3-5-9)6-10-12(19)17(13(15)23-10)14-16-7-11(24-14)18(20)21/h2-7,15H,1H3/b10-6-,15-13-.
What are the key properties of (5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 362.39 g/mol, XLogP of 3.12, 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-[(4-methoxyphenyl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 164621633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).