2-[1-(4-chloro-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid

C9H11ClN2O3S — CID 102657927

IUPAC2-[1-(4-chloro-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(c2nc(Cl)cs2)C1
InChIInChI=1S/C9H11ClN2O3S/c1-9(15-2-7(13)14)4-12(5-9)8-11-6(10)3-16-8/h3H,2,4-5H2,1H3,(H,13,14)
InChIKeyUQDSSCFBRYPJTJ-UHFFFAOYSA-N
MW262.72 g/mol
LogP1.48
Rot. Bonds4

About 2-[1-(4-chloro-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(4-chloro-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657927) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is 2-[1-(4-chloro-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(4-chloro-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657927
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC Name2-[1-(4-chloro-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(c2nc(Cl)cs2)C1
InChIInChI=1S/C9H11ClN2O3S/c1-9(15-2-7(13)14)4-12(5-9)8-11-6(10)3-16-8/h3H,2,4-5H2,1H3,(H,13,14)
InChIKeyUQDSSCFBRYPJTJ-UHFFFAOYSA-N
XLogP1.48
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-bromo-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658010
2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid
CID 102658118
3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid
CID 83152133
2-[4-(4-chloro-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 83152482
2-[3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]oxyacetic acid
CID 102658053
2-[3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxyacetic acid
CID 102657962
4-(chloromethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-thiazole
CID 130964274
2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658060
2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102657658
1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83152836
1-[4-(4-chloro-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
CID 83155375
2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid
CID 102658023

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(4-chloro-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102657927) is 2-[1-(4-chloro-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(4-chloro-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(4-chloro-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(c2nc(Cl)cs2)C1.
What is the InChIKey of 2-[1-(4-chloro-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is UQDSSCFBRYPJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c1-9(15-2-7(13)14)4-12(5-9)8-11-6(10)3-16-8/h3H,2,4-5H2,1H3,(H,13,14).
What are the key properties of 2-[1-(4-chloro-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(4-chloro-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 262.72 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-1,3-thiazol-2-yl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).