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

C11H18N2O3S — CID 82952489

IUPAC2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCOCCN(c1nc(CC(=O)O)cs1)C(C)C
InChIInChI=1S/C11H18N2O3S/c1-8(2)13(4-5-16-3)11-12-9(7-17-11)6-10(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeyXGPDVRJYQAGMDG-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.63
Rot. Bonds7

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

2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 82952489) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID82952489
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCOCCN(c1nc(CC(=O)O)cs1)C(C)C
InChIInChI=1S/C11H18N2O3S/c1-8(2)13(4-5-16-3)11-12-9(7-17-11)6-10(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeyXGPDVRJYQAGMDG-UHFFFAOYSA-N
XLogP1.63
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
CID 113423150
methyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80575730
N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82965911
2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80575301
3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486550
2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 54969150
ethyl 2-[2-[2-cyanoethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80575808
4-[(4-methyl-1,3-thiazol-2-yl)-propan-2-ylamino]butanoic acid
CID 60828366
2-[2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 60708918
2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 104527701
3-[2-[2-cyanoethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103487617
methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576775

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid (CID 82952489) is 2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid is COCCN(c1nc(CC(=O)O)cs1)C(C)C.
What is the InChIKey of 2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is XGPDVRJYQAGMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8(2)13(4-5-16-3)11-12-9(7-17-11)6-10(14)15/h7-8H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 258.34 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 82952489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).