2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid

C13H19N3O3S — CID 64616893

IUPAC2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
SMILESCN(C)C(=O)Cc1nc(CN2CC(CC(=O)O)C2)cs1
InChIInChI=1S/C13H19N3O3S/c1-15(2)12(17)4-11-14-10(8-20-11)7-16-5-9(6-16)3-13(18)19/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyYOGHZLFCOFCEPR-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.68
Rot. Bonds6

About 2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid

2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid (PubChem CID 64616893) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
PubChem CID64616893
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
SMILESCN(C)C(=O)Cc1nc(CN2CC(CC(=O)O)C2)cs1
InChIInChI=1S/C13H19N3O3S/c1-15(2)12(17)4-11-14-10(8-20-11)7-16-5-9(6-16)3-13(18)19/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyYOGHZLFCOFCEPR-UHFFFAOYSA-N
XLogP0.68
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid with MolForge

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Related Compounds

2-[4-[[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 79410604
2-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64617728
2-[4-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 94340607
2-[4-[(4-formylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 62655183
2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 64787196
2-[4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 78955069
N,N-dimethyl-2-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95277424
2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618291
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide
CID 82112319
(3S,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98534340
2-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methylamino]-3-methylbutanoic acid
CID 43468665
N,N-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 84599482

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid (CID 64616893) is 2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid is CN(C)C(=O)Cc1nc(CN2CC(CC(=O)O)C2)cs1.
What is the InChIKey of 2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid?
The InChIKey is YOGHZLFCOFCEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-15(2)12(17)4-11-14-10(8-20-11)7-16-5-9(6-16)3-13(18)19/h8-9H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid?
2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid has a molecular weight of 297.38 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).