2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide

C15H10N4O6S2 — CID 46947465

IUPAC2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C15H10N4O6S2/c20-11(17-14-16-6-12(27-14)19(23)24)7-25-9-3-1-8(2-4-9)5-10-13(21)18-15(22)26-10/h1-6H,7H2,(H,16,17,20)(H,18,21,22)/b10-5-
InChIKeyVKDSUFMTXWDFQR-YHYXMXQVSA-N
MW406.40 g/mol
LogP2.39
Rot. Bonds6

About 2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide

2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 46947465) has the molecular formula C15H10N4O6S2 and a molecular weight of 406.40 g/mol. Its IUPAC name is 2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID46947465
Molecular FormulaC15H10N4O6S2
Molecular Weight406.40 g/mol
Exact Mass406.00
IUPAC Name2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C15H10N4O6S2/c20-11(17-14-16-6-12(27-14)19(23)24)7-25-9-3-1-8(2-4-9)5-10-13(21)18-15(22)26-10/h1-6H,7H2,(H,16,17,20)(H,18,21,22)/b10-5-
InChIKeyVKDSUFMTXWDFQR-YHYXMXQVSA-N
XLogP2.39
TPSA140.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(5-nitro-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 2947324
(5Z)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10044126
[2-[(5-Nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 4274507
2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 46947462
(5Z)-2-imino-3-(5-nitro-1,3-thiazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 118732652
N-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenylphenoxy)acetamide
CID 127050443
N-(5-nitro-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)acetamide
CID 127050757
N-(5-nitro-1,3-thiazol-2-yl)-2-(4-phenoxyphenoxy)acetamide
CID 127050758
(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 164621633
(E)-3-(1,3-benzodioxol-5-yl)-N-(5-nitro-1,3-thiazol-2-yl)prop-2-enamide
CID 5350721
2-(3-fluorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 21537905
2-[2,4-bis(trifluoromethyl)phenoxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 21537906

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 46947465) is 2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide is O=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is VKDSUFMTXWDFQR-YHYXMXQVSA-N. The full InChI is InChI=1S/C15H10N4O6S2/c20-11(17-14-16-6-12(27-14)19(23)24)7-25-9-3-1-8(2-4-9)5-10-13(21)18-15(22)26-10/h1-6H,7H2,(H,16,17,20)(H,18,21,22)/b10-5-.
What are the key properties of 2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 406.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 46947465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).