2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid

C12H20N2O3S — CID 54969150

IUPAC2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1csc(C(C)C)n1
InChIInChI=1S/C12H20N2O3S/c1-9(2)12-13-10(8-18-12)6-14(4-5-17-3)7-11(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyOTGCRWUZNHDUKF-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.80
Rot. Bonds8

About 2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid

2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid (PubChem CID 54969150) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid
PubChem CID54969150
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1csc(C(C)C)n1
InChIInChI=1S/C12H20N2O3S/c1-9(2)12-13-10(8-18-12)6-14(4-5-17-3)7-11(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyOTGCRWUZNHDUKF-UHFFFAOYSA-N
XLogP1.80
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 119189301
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 54986846
2-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106617504
2-[2-methoxyethyl(pyrimidin-4-ylmethyl)amino]acetic acid
CID 65067306
2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
CID 82952489
2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80575301
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55214617
1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 62016549
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 66390190
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 66390376
methyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate
CID 10616209
2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 61012423

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid (CID 54969150) is 2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid is COCCN(CC(=O)O)Cc1csc(C(C)C)n1.
What is the InChIKey of 2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid?
The InChIKey is OTGCRWUZNHDUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9(2)12-13-10(8-18-12)6-14(4-5-17-3)7-11(15)16/h8-9H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid?
2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid has a molecular weight of 272.37 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid is sourced from PubChem (CID 54969150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).