2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid

C10H15N3O3S — CID 82547915

IUPAC2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
SMILESCC(N)c1nc(CC(=O)N(C)CC(=O)O)cs1
InChIInChI=1S/C10H15N3O3S/c1-6(11)10-12-7(5-17-10)3-8(14)13(2)4-9(15)16/h5-6H,3-4,11H2,1-2H3,(H,15,16)
InChIKeyFEJMNIUITHCWOU-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.25
Rot. Bonds5

About 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid

2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid (PubChem CID 82547915) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
PubChem CID82547915
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
SMILESCC(N)c1nc(CC(=O)N(C)CC(=O)O)cs1
InChIInChI=1S/C10H15N3O3S/c1-6(11)10-12-7(5-17-10)3-8(14)13(2)4-9(15)16/h5-6H,3-4,11H2,1-2H3,(H,15,16)
InChIKeyFEJMNIUITHCWOU-UHFFFAOYSA-N
XLogP0.25
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 43356197
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetamide
CID 82547702
methyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate
CID 82547784
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 82547581
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 82547688
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548148
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide
CID 82548102
2-[[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
CID 119346160
4-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 82547802
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
ethyl 4-[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 110450870
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
CID 119137122

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid (CID 82547915) is 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid is CC(N)c1nc(CC(=O)N(C)CC(=O)O)cs1.
What is the InChIKey of 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid?
The InChIKey is FEJMNIUITHCWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-6(11)10-12-7(5-17-10)3-8(14)13(2)4-9(15)16/h5-6H,3-4,11H2,1-2H3,(H,15,16).
What are the key properties of 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid?
2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid has a molecular weight of 257.31 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid is sourced from PubChem (CID 82547915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).