2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid

C12H16N2O4S — CID 119248715

IUPAC2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCc2nccs2)CCO1
InChIInChI=1S/C12H16N2O4S/c15-11(2-1-10-13-3-6-19-10)14-4-5-18-9(8-14)7-12(16)17/h3,6,9H,1-2,4-5,7-8H2,(H,16,17)
InChIKeyIFRQWVVNXWYCKD-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.78
Rot. Bonds5

About 2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid

2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 119248715) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
PubChem CID119248715
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCc2nccs2)CCO1
InChIInChI=1S/C12H16N2O4S/c15-11(2-1-10-13-3-6-19-10)14-4-5-18-9(8-14)7-12(16)17/h3,6,9H,1-2,4-5,7-8H2,(H,16,17)
InChIKeyIFRQWVVNXWYCKD-UHFFFAOYSA-N
XLogP0.78
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239816
2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
CID 66421747
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 124702416
2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid
CID 120527590
2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 125147522
2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119247740
2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248342
2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248324
2-[(2R)-4-[4-(1,3-benzothiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid
CID 124704903
2-[4-[4-(1,3-benzothiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid
CID 119247708
(3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one
CID 129345042

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid (CID 119248715) is 2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)CCc2nccs2)CCO1.
What is the InChIKey of 2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is IFRQWVVNXWYCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c15-11(2-1-10-13-3-6-19-10)14-4-5-18-9(8-14)7-12(16)17/h3,6,9H,1-2,4-5,7-8H2,(H,16,17).
What are the key properties of 2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid?
2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 284.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).