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

C11H7ClN2O3S — CID 4737197

IUPACN-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
SMILESO=C(C=C1SC(=O)NC1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H7ClN2O3S/c12-6-1-3-7(4-2-6)13-9(15)5-8-10(16)14-11(17)18-8/h1-5H,(H,13,15)(H,14,16,17)
InChIKeyFAKIIRVYHALAIP-UHFFFAOYSA-N
MW282.71 g/mol
LogP2.15
Rot. Bonds2

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

N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide (PubChem CID 4737197) has the molecular formula C11H7ClN2O3S and a molecular weight of 282.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
PubChem CID4737197
Molecular FormulaC11H7ClN2O3S
Molecular Weight282.71 g/mol
Exact Mass281.99
IUPAC NameN-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
SMILESO=C(C=C1SC(=O)NC1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H7ClN2O3S/c12-6-1-3-7(4-2-6)13-9(15)5-8-10(16)14-11(17)18-8/h1-5H,(H,13,15)(H,14,16,17)
InChIKeyFAKIIRVYHALAIP-UHFFFAOYSA-N
XLogP2.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.15
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-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 18809115
(2Z)-N-(4-acetylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 18809133
(2Z)-N-(3-chloro-4-methylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 18809139
(2Z)-N-(3-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 18809143
2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide
CID 4737190
(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide
CID 6199592
(E)-N-[(4-chlorophenyl)methyl]-3-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]prop-2-enamide
CID 59122872
N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 2905869
(2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[6-[[(2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetyl]amino]hexyl]acetamide
CID 39840446
2-[4-chloro-2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 71962968
N-(4-chlorophenyl)-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide
CID 22755887
2-[4-chloro-2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 71962966

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide (CID 4737197) is N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide is O=C(C=C1SC(=O)NC1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
The InChIKey is FAKIIRVYHALAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3S/c12-6-1-3-7(4-2-6)13-9(15)5-8-10(16)14-11(17)18-8/h1-5H,(H,13,15)(H,14,16,17).
What are the key properties of N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide has a molecular weight of 282.71 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide is sourced from PubChem (CID 4737197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).