3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide

C14H15N3O4S — CID 121155297

IUPAC3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC(N3C(=O)CSC3=O)C2)cc1
InChIInChI=1S/C14H15N3O4S/c1-21-11-4-2-9(3-5-11)15-13(19)16-6-10(7-16)17-12(18)8-22-14(17)20/h2-5,10H,6-8H2,1H3,(H,15,19)
InChIKeyLMHIXDXMRPZENB-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.61
Rot. Bonds3

About 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide

3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide (PubChem CID 121155297) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide
PubChem CID121155297
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC(N3C(=O)CSC3=O)C2)cc1
InChIInChI=1S/C14H15N3O4S/c1-21-11-4-2-9(3-5-11)15-13(19)16-6-10(7-16)17-12(18)8-22-14(17)20/h2-5,10H,6-8H2,1H3,(H,15,19)
InChIKeyLMHIXDXMRPZENB-UHFFFAOYSA-N
XLogP1.61
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[2-(4-methoxyphenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155037
(3R)-N-(3,4-dimethylphenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)pyrrolidine-1-carboxamide
CID 100728995
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618602
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116681654
(6R)-N-(4-methoxyphenyl)-11,14-dioxa-3,8-diazatricyclo[8.4.0.03,6]tetradecane-8-carboxamide
CID 142437172
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 121190717
3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide
CID 23140249
(3S,8R,10S)-10-[(dimethylamino)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
CID 170099301
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 3861297

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide (CID 121155297) is 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide is COc1ccc(NC(=O)N2CC(N3C(=O)CSC3=O)C2)cc1.
What is the InChIKey of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide?
The InChIKey is LMHIXDXMRPZENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-21-11-4-2-9(3-5-11)15-13(19)16-6-10(7-16)17-12(18)8-22-14(17)20/h2-5,10H,6-8H2,1H3,(H,15,19).
What are the key properties of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide?
3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 121155297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).