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

C12H18N2O4S — CID 119189301

IUPAC2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1csc(C(C)C)n1
InChIInChI=1S/C12H18N2O4S/c1-8(2)11-13-9(7-19-11)12(17)14(4-5-18-3)6-10(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyGJIDVLRDCLAXII-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.44
Rot. Bonds7

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

2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid (PubChem CID 119189301) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
PubChem CID119189301
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1csc(C(C)C)n1
InChIInChI=1S/C12H18N2O4S/c1-8(2)11-13-9(7-19-11)12(17)14(4-5-18-3)6-10(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyGJIDVLRDCLAXII-UHFFFAOYSA-N
XLogP1.44
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 54969150
ethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetate
CID 66388898
2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid
CID 63023024
2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119189710
2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119348120
2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189802
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 82949262
N,N-bis(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 55555192
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 66390440
2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696799
2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189651
2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid
CID 119189517

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid (CID 119189301) is 2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1csc(C(C)C)n1.
What is the InChIKey of 2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid?
The InChIKey is GJIDVLRDCLAXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-8(2)11-13-9(7-19-11)12(17)14(4-5-18-3)6-10(15)16/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid?
2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid has a molecular weight of 286.35 g/mol, XLogP of 1.44, 7 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-thiazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 119189301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).