3-[1-(4-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione

C14H14N2O4S — CID 121155024

IUPAC3-[1-(4-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(C(=O)N2CC(N3C(=O)CSC3=O)C2)cc1
InChIInChI=1S/C14H14N2O4S/c1-20-11-4-2-9(3-5-11)13(18)15-6-10(7-15)16-12(17)8-21-14(16)19/h2-5,10H,6-8H2,1H3
InChIKeyZUTHKIMPGYAELY-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.22
Rot. Bonds3

About 3-[1-(4-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione

3-[1-(4-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 121155024) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-[1-(4-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(4-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione
PubChem CID121155024
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name3-[1-(4-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(C(=O)N2CC(N3C(=O)CSC3=O)C2)cc1
InChIInChI=1S/C14H14N2O4S/c1-20-11-4-2-9(3-5-11)13(18)15-6-10(7-15)16-12(17)8-21-14(16)19/h2-5,10H,6-8H2,1H3
InChIKeyZUTHKIMPGYAELY-UHFFFAOYSA-N
XLogP1.22
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide
CID 121155297
3-[1-[2-(4-methoxyphenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155037
N-[4-[(3R)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 99991762
3-[1-(5-methylpyrazine-2-carbonyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155208
[3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone
CID 143566015
methyl 4-[3-(2,5-dioxopyrrolidin-1-yl)azetidine-1-carbonyl]benzoate
CID 86265319
2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid
CID 116680825
4-(4-methoxybenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708980
3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017220
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 110107932
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[1-(4-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione (CID 121155024) is 3-[1-(4-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(4-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[1-(4-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione is COc1ccc(C(=O)N2CC(N3C(=O)CSC3=O)C2)cc1.
What is the InChIKey of 3-[1-(4-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZUTHKIMPGYAELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-20-11-4-2-9(3-5-11)13(18)15-6-10(7-15)16-12(17)8-21-14(16)19/h2-5,10H,6-8H2,1H3.
What are the key properties of 3-[1-(4-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
3-[1-(4-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 306.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 121155024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).