2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)-(2-methoxyethyl)amino]acetic acid

C11H16N2O4S — CID 120516208

IUPAC2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1nc(C)sc1C
InChIInChI=1S/C11H16N2O4S/c1-7-10(12-8(2)18-7)11(16)13(4-5-17-3)6-9(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyKWQPTFUIAGORLS-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.93
Rot. Bonds6

About 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)-(2-methoxyethyl)amino]acetic acid

2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 120516208) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID120516208
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1nc(C)sc1C
InChIInChI=1S/C11H16N2O4S/c1-7-10(12-8(2)18-7)11(16)13(4-5-17-3)6-9(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyKWQPTFUIAGORLS-UHFFFAOYSA-N
XLogP0.93
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969489
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 119189301
2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid
CID 119189517
2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid
CID 63023024
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969488
2-[2-methoxyethyl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid
CID 119189294
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
2-[2-methoxyethyl-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 79271923
2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189822
2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 104669556

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)-(2-methoxyethyl)amino]acetic acid (CID 120516208) is 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1nc(C)sc1C.
What is the InChIKey of 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is KWQPTFUIAGORLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7-10(12-8(2)18-7)11(16)13(4-5-17-3)6-9(14)15/h4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 272.33 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 120516208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).