methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate

C11H18N2O3S — CID 107040251

IUPACmethyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
SMILESCOCCN(C)c1nc(CCC(=O)OC)cs1
InChIInChI=1S/C11H18N2O3S/c1-13(6-7-15-2)11-12-9(8-17-11)4-5-10(14)16-3/h8H,4-7H2,1-3H3
InChIKeyQYRPRBCKKMHXNX-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.33
Rot. Bonds7

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

methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate (PubChem CID 107040251) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
PubChem CID107040251
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Namemethyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
SMILESCOCCN(C)c1nc(CCC(=O)OC)cs1
InChIInChI=1S/C11H18N2O3S/c1-13(6-7-15-2)11-12-9(8-17-11)4-5-10(14)16-3/h8H,4-7H2,1-3H3
InChIKeyQYRPRBCKKMHXNX-UHFFFAOYSA-N
XLogP1.33
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107039998
methyl 3-[2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040512
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
methyl 3-[2-[methyl(2-phenylethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040420
methyl 3-[2-[methyl(2-methylpropyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040003
methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576775
ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103488236
methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate
CID 107039799
methyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576618
3-[2-[3-(dimethylamino)propyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487682
methyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate
CID 107039879
methyl 3-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]propanoate
CID 107040183

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate (CID 107040251) is methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate is COCCN(C)c1nc(CCC(=O)OC)cs1.
What is the InChIKey of methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate?
The InChIKey is QYRPRBCKKMHXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-13(6-7-15-2)11-12-9(8-17-11)4-5-10(14)16-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate has a molecular weight of 258.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 107040251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).