3-[1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione

C14H13N3O6S2 — CID 121155375

IUPAC3-[1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESCn1c(=O)oc2ccc(S(=O)(=O)N3CC(N4C(=O)CSC4=O)C3)cc21
InChIInChI=1S/C14H13N3O6S2/c1-15-10-4-9(2-3-11(10)23-13(15)19)25(21,22)16-5-8(6-16)17-12(18)7-24-14(17)20/h2-4,8H,5-7H2,1H3
InChIKeyZLXXBLJSXQMAJX-UHFFFAOYSA-N
MW383.41 g/mol
LogP0.20
Rot. Bonds3

About 3-[1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione

3-[1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 121155375) has the molecular formula C14H13N3O6S2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 3-[1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
PubChem CID121155375
Molecular FormulaC14H13N3O6S2
Molecular Weight383.41 g/mol
Exact Mass383.02
IUPAC Name3-[1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESCn1c(=O)oc2ccc(S(=O)(=O)N3CC(N4C(=O)CSC4=O)C3)cc21
InChIInChI=1S/C14H13N3O6S2/c1-15-10-4-9(2-3-11(10)23-13(15)19)25(21,22)16-5-8(6-16)17-12(18)7-24-14(17)20/h2-4,8H,5-7H2,1H3
InChIKeyZLXXBLJSXQMAJX-UHFFFAOYSA-N
XLogP0.20
TPSA109.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione 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

5-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 90593251
6-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 79411361
3-methyl-5-(3-methylsulfonylpyrrolidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 90587052
3-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 86265494
5-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 70772423
6-(3-hydroxyazetidin-1-yl)sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 55178205
3-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155348
3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one
CID 71806101
5-[[7-(2,5-difluorophenyl)-1,4-thiazepan-4-yl]sulfonyl]-3-methyl-1,3-benzoxazol-2-one
CID 90632024
3-methyl-5-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 129357707
methyl (2S,4S)-4-methoxy-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate
CID 100706107
6-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 110290439

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione (CID 121155375) is 3-[1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione is Cn1c(=O)oc2ccc(S(=O)(=O)N3CC(N4C(=O)CSC4=O)C3)cc21.
What is the InChIKey of 3-[1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZLXXBLJSXQMAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O6S2/c1-15-10-4-9(2-3-11(10)23-13(15)19)25(21,22)16-5-8(6-16)17-12(18)7-24-14(17)20/h2-4,8H,5-7H2,1H3.
What are the key properties of 3-[1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
3-[1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 383.41 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 121155375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).