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

C12H10N2O3S — CID 2905869

IUPACN-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
SMILESO=C(C=C1SC(=O)NC1=O)NCc1ccccc1
InChIInChI=1S/C12H10N2O3S/c15-10(6-9-11(16)14-12(17)18-9)13-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,15)(H,14,16,17)
InChIKeyBWXNTIPQZHBNKW-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.17
Rot. Bonds3

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

N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide (PubChem CID 2905869) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
PubChem CID2905869
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC NameN-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
SMILESO=C(C=C1SC(=O)NC1=O)NCc1ccccc1
InChIInChI=1S/C12H10N2O3S/c15-10(6-9-11(16)14-12(17)18-9)13-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,15)(H,14,16,17)
InChIKeyBWXNTIPQZHBNKW-UHFFFAOYSA-N
XLogP1.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2Z)-N-[(4-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
CID 6307072
N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 74501803
N-benzyl-2-[4-[2-(benzylamino)-2-oxoethylidene]-1,3-dithietan-2-ylidene]acetamide
CID 12680451
(2E)-N-benzyl-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 17273290
(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide
CID 6199592
4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 9405022
(2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 18809115
N-benzyl-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 51353661
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
N-benzyl-2-[7-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 11611563
N-benzyl-2-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]acetamide
CID 3614995
N'-benzyloxamide
CID 561416

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
The IUPAC name of N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide (CID 2905869) is N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide.
What is the SMILES notation for N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
The canonical SMILES for N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide is O=C(C=C1SC(=O)NC1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
The InChIKey is BWXNTIPQZHBNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-10(6-9-11(16)14-12(17)18-9)13-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,15)(H,14,16,17).
What are the key properties of N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide has a molecular weight of 262.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide is sourced from PubChem (CID 2905869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).