2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid

C10H14N2O5S2 — CID 103414427

IUPAC2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid
SMILESCc1ncc(S(=O)(=O)N2CC(C)(OCC(=O)O)C2)s1
InChIInChI=1S/C10H14N2O5S2/c1-7-11-3-9(18-7)19(15,16)12-5-10(2,6-12)17-4-8(13)14/h3H,4-6H2,1-2H3,(H,13,14)
InChIKeyIHZAHRYAGACUMZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.32
Rot. Bonds5

About 2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid (PubChem CID 103414427) has the molecular formula C10H14N2O5S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid
PubChem CID103414427
Molecular FormulaC10H14N2O5S2
Molecular Weight306.37 g/mol
Exact Mass306.03
IUPAC Name2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid
SMILESCc1ncc(S(=O)(=O)N2CC(C)(OCC(=O)O)C2)s1
InChIInChI=1S/C10H14N2O5S2/c1-7-11-3-9(18-7)19(15,16)12-5-10(2,6-12)17-4-8(13)14/h3H,4-6H2,1-2H3,(H,13,14)
InChIKeyIHZAHRYAGACUMZ-UHFFFAOYSA-N
XLogP0.32
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657845
2-[1-(3,5-dichlorophenyl)sulfonyl-3-methylazetidin-3-yl]oxyacetic acid
CID 102657796
(3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol
CID 104600170
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid
CID 103862581
[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine
CID 120778216
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982941
2-[1-(3-bromophenyl)sulfonyl-3-methylazetidin-3-yl]oxyacetic acid
CID 102657759
2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102657755
(3aS,6aR)-2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679506
5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole
CID 103415890
2-[1-(diethylsulfamoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657723
2-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658086

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid (CID 103414427) is 2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid is Cc1ncc(S(=O)(=O)N2CC(C)(OCC(=O)O)C2)s1.
What is the InChIKey of 2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is IHZAHRYAGACUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S2/c1-7-11-3-9(18-7)19(15,16)12-5-10(2,6-12)17-4-8(13)14/h3H,4-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 306.37 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 103414427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).