2-[1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]acetic acid

C9H12N2O5S2 — CID 64616229

IUPAC2-[1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]acetic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C9H12N2O5S2/c1-5-8(17-9(14)10-5)18(15,16)11-3-6(4-11)2-7(12)13/h6H,2-4H2,1H3,(H,10,14)(H,12,13)
InChIKeyHYRIBZITRWIMOH-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.16
Rot. Bonds4

About 2-[1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]acetic acid

2-[1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]acetic acid (PubChem CID 64616229) has the molecular formula C9H12N2O5S2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]acetic acid
PubChem CID64616229
Molecular FormulaC9H12N2O5S2
Molecular Weight292.34 g/mol
Exact Mass292.02
IUPAC Name2-[1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]acetic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C9H12N2O5S2/c1-5-8(17-9(14)10-5)18(15,16)11-3-6(4-11)2-7(12)13/h6H,2-4H2,1H3,(H,10,14)(H,12,13)
InChIKeyHYRIBZITRWIMOH-UHFFFAOYSA-N
XLogP-0.16
TPSA107.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]acetic acid (CID 64616229) is 2-[1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]acetic acid is Cc1[nH]c(=O)sc1S(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]acetic acid?
The InChIKey is HYRIBZITRWIMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5S2/c1-5-8(17-9(14)10-5)18(15,16)11-3-6(4-11)2-7(12)13/h6H,2-4H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 2-[1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]acetic acid?
2-[1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]acetic acid has a molecular weight of 292.34 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).