2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid

C12H16N2O4S — CID 102657276

IUPAC2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCc1nc(C)c(C(=O)N2CC(C)(OCC(=O)O)C2)s1
InChIInChI=1S/C12H16N2O4S/c1-7-10(19-8(2)13-7)11(17)14-5-12(3,6-14)18-4-9(15)16/h4-6H2,1-3H3,(H,15,16)
InChIKeyQGSFAQAJYJIIMP-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.08
Rot. Bonds4

About 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657276) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657276
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCc1nc(C)c(C(=O)N2CC(C)(OCC(=O)O)C2)s1
InChIInChI=1S/C12H16N2O4S/c1-7-10(19-8(2)13-7)11(17)14-5-12(3,6-14)18-4-9(15)16/h4-6H2,1-3H3,(H,15,16)
InChIKeyQGSFAQAJYJIIMP-UHFFFAOYSA-N
XLogP1.08
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 71873404
2-[(2S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 124515375
(2-amino-4-methyl-1,3-thiazol-5-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219312
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 103807604
2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102657522
2-[1-(3,6-dichloropyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657196
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-hydroxy-4-(phenoxymethyl)piperidin-1-yl]methanone
CID 155990994
2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid
CID 103414427
2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658238
[4-(2-bromoethyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 114033487
(3aS,6aR)-2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120684014
8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72927770

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102657276) is 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid is Cc1nc(C)c(C(=O)N2CC(C)(OCC(=O)O)C2)s1.
What is the InChIKey of 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is QGSFAQAJYJIIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-7-10(19-8(2)13-7)11(17)14-5-12(3,6-14)18-4-9(15)16/h4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 284.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).