3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

C15H13N3O4S — CID 121022585

IUPAC3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1ccc2ncsc2c1)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C15H13N3O4S/c19-13-7-22-15(21)18(13)6-9-4-17(5-9)14(20)10-1-2-11-12(3-10)23-8-16-11/h1-3,8-9H,4-7H2
InChIKeyBYUUTLXBBHMMDO-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.35
Rot. Bonds3

About 3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 121022585) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is 3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID121022585
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1ccc2ncsc2c1)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C15H13N3O4S/c19-13-7-22-15(21)18(13)6-9-4-17(5-9)14(20)10-1-2-11-12(3-10)23-8-16-11/h1-3,8-9H,4-7H2
InChIKeyBYUUTLXBBHMMDO-UHFFFAOYSA-N
XLogP1.35
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 121022585) is 3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is O=C(c1ccc2ncsc2c1)N1CC(CN2C(=O)COC2=O)C1.
What is the InChIKey of 3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is BYUUTLXBBHMMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c19-13-7-22-15(21)18(13)6-9-4-17(5-9)14(20)10-1-2-11-12(3-10)23-8-16-11/h1-3,8-9H,4-7H2.
What are the key properties of 3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 331.35 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 121022585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).