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

C14H13ClN2O3S — CID 121155047

IUPAC3-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C(Cc1ccccc1Cl)N1CC(N2C(=O)CSC2=O)C1
InChIInChI=1S/C14H13ClN2O3S/c15-11-4-2-1-3-9(11)5-12(18)16-6-10(7-16)17-13(19)8-21-14(17)20/h1-4,10H,5-8H2
InChIKeyLDEJYZPTNVNWNS-UHFFFAOYSA-N
MW324.79 g/mol
LogP1.79
Rot. Bonds3

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

3-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 121155047) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 3-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
PubChem CID121155047
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name3-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C(Cc1ccccc1Cl)N1CC(N2C(=O)CSC2=O)C1
InChIInChI=1S/C14H13ClN2O3S/c15-11-4-2-1-3-9(11)5-12(18)16-6-10(7-16)17-13(19)8-21-14(17)20/h1-4,10H,5-8H2
InChIKeyLDEJYZPTNVNWNS-UHFFFAOYSA-N
XLogP1.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155018
3-[1-[2-(4-methoxyphenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155037
3-chloro-N-[2-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)azetidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 121155106
3-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155174
3-[1-[3-(3-methylphenyl)propanoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155129
2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 110662368
2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
CID 121154697
3-[1-(2,6-dichlorophenyl)sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155376
(3S,4S)-1-[2-(2-chlorophenyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98536830
2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 139027657
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
4-[4-[2-(2-chlorophenyl)acetyl]piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 48597700

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione (CID 121155047) is 3-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione is O=C(Cc1ccccc1Cl)N1CC(N2C(=O)CSC2=O)C1.
What is the InChIKey of 3-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is LDEJYZPTNVNWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c15-11-4-2-1-3-9(11)5-12(18)16-6-10(7-16)17-13(19)8-21-14(17)20/h1-4,10H,5-8H2.
What are the key properties of 3-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
3-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 324.79 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 121155047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).