3-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione

C14H13ClN2O4S — CID 121017205

IUPAC3-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(Cl)cc1C(=O)N1CC(N2C(=O)CSC2=O)C1
InChIInChI=1S/C14H13ClN2O4S/c1-21-11-3-2-8(15)4-10(11)13(19)16-5-9(6-16)17-12(18)7-22-14(17)20/h2-4,9H,5-7H2,1H3
InChIKeyGJGZAOFFZSXNTD-UHFFFAOYSA-N
MW340.79 g/mol
LogP1.87
Rot. Bonds3

About 3-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione

3-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 121017205) has the molecular formula C14H13ClN2O4S and a molecular weight of 340.79 g/mol. Its IUPAC name is 3-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione
PubChem CID121017205
Molecular FormulaC14H13ClN2O4S
Molecular Weight340.79 g/mol
Exact Mass340.03
IUPAC Name3-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(Cl)cc1C(=O)N1CC(N2C(=O)CSC2=O)C1
InChIInChI=1S/C14H13ClN2O4S/c1-21-11-3-2-8(15)4-10(11)13(19)16-5-9(6-16)17-12(18)7-22-14(17)20/h2-4,9H,5-7H2,1H3
InChIKeyGJGZAOFFZSXNTD-UHFFFAOYSA-N
XLogP1.87
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 51.87
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-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 65244224
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 2904490
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 120658746
(5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone
CID 91783571
(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
CID 70713898
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 35288880
3-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156516
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
(5-chloro-2-methoxyphenyl)-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]methanone
CID 136521523

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione (CID 121017205) is 3-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione is COc1ccc(Cl)cc1C(=O)N1CC(N2C(=O)CSC2=O)C1.
What is the InChIKey of 3-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is GJGZAOFFZSXNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4S/c1-21-11-3-2-8(15)4-10(11)13(19)16-5-9(6-16)17-12(18)7-22-14(17)20/h2-4,9H,5-7H2,1H3.
What are the key properties of 3-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
3-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 340.79 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 121017205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).