(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide

C12H10N2O4S — CID 6199592

IUPAC(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)/C=C1\SC(=O)NC1=O
InChIInChI=1S/C12H10N2O4S/c1-18-8-5-3-2-4-7(8)13-10(15)6-9-11(16)14-12(17)19-9/h2-6H,1H3,(H,13,15)(H,14,16,17)/b9-6-
InChIKeyZUFBBQXWTPPJRT-TWGQIWQCSA-N
MW278.29 g/mol
LogP1.50
Rot. Bonds3

About (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide

(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide (PubChem CID 6199592) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide
PubChem CID6199592
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)/C=C1\SC(=O)NC1=O
InChIInChI=1S/C12H10N2O4S/c1-18-8-5-3-2-4-7(8)13-10(15)6-9-11(16)14-12(17)19-9/h2-6H,1H3,(H,13,15)(H,14,16,17)/b9-6-
InChIKeyZUFBBQXWTPPJRT-TWGQIWQCSA-N
XLogP1.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide
CID 4737190
(2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 18809133
N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 2905869
methyl (E)-4-(2-methoxyanilino)-4-oxobut-2-enoate
CID 851837
N-(2-methoxyphenyl)-3-methylbut-2-enamide
CID 19177446
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
(2Z)-N-(3-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 18809143
(2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 18809115
2-imino-N-(2-methoxyphenyl)acetamide
CID 145295181
2-[5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 4804076
(2Z)-2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 98677854
(2Z)-2-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 8827923

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide (CID 6199592) is (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)/C=C1\SC(=O)NC1=O.
What is the InChIKey of (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide?
The InChIKey is ZUFBBQXWTPPJRT-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H10N2O4S/c1-18-8-5-3-2-4-7(8)13-10(15)6-9-11(16)14-12(17)19-9/h2-6H,1H3,(H,13,15)(H,14,16,17)/b9-6-.
What are the key properties of (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide?
(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide has a molecular weight of 278.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 6199592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).