3-[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione

C13H10N4O4S — CID 91814801

IUPAC3-[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1ccc2nsnc2c1)N1CC(N2C(=O)COC2=O)C1
InChIInChI=1S/C13H10N4O4S/c18-11-6-21-13(20)17(11)8-4-16(5-8)12(19)7-1-2-9-10(3-7)15-22-14-9/h1-3,8H,4-6H2
InChIKeyHIRMZAURCMZIKK-UHFFFAOYSA-N
MW318.31 g/mol
LogP0.49
Rot. Bonds2

About 3-[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione

3-[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 91814801) has the molecular formula C13H10N4O4S and a molecular weight of 318.31 g/mol. Its IUPAC name is 3-[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione
PubChem CID91814801
Molecular FormulaC13H10N4O4S
Molecular Weight318.31 g/mol
Exact Mass318.04
IUPAC Name3-[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1ccc2nsnc2c1)N1CC(N2C(=O)COC2=O)C1
InChIInChI=1S/C13H10N4O4S/c18-11-6-21-13(20)17(11)8-4-16(5-8)12(19)7-1-2-9-10(3-7)15-22-14-9/h1-3,8H,4-6H2
InChIKeyHIRMZAURCMZIKK-UHFFFAOYSA-N
XLogP0.49
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

2,1,3-benzothiadiazol-5-yl-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126891901
3-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727966
(1S,4R)-5-(2,1,3-benzothiadiazole-5-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 98211837
2,1,3-benzothiadiazol-5-yl-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121190446
2,1,3-benzothiadiazol-5-yl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
CID 71809204
2-[[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928099
3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 121022585
2,1,3-benzothiadiazol-5-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone
CID 122160856
2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134498
[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone
CID 129373846
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156494
2,1,3-benzothiadiazol-5-yl-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone
CID 131702364

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione (CID 91814801) is 3-[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione is O=C(c1ccc2nsnc2c1)N1CC(N2C(=O)COC2=O)C1.
What is the InChIKey of 3-[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is HIRMZAURCMZIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4S/c18-11-6-21-13(20)17(11)8-4-16(5-8)12(19)7-1-2-9-10(3-7)15-22-14-9/h1-3,8H,4-6H2.
What are the key properties of 3-[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
3-[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 318.31 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 91814801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).