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

C10H15NO3S — CID 107039799

IUPACmethyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate
SMILESCOCCc1nc(CCC(=O)OC)cs1
InChIInChI=1S/C10H15NO3S/c1-13-6-5-9-11-8(7-15-9)3-4-10(12)14-2/h7H,3-6H2,1-2H3
InChIKeyRGKFDJUNMFDUMI-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.44
Rot. Bonds6

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

methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate (PubChem CID 107039799) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate
PubChem CID107039799
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Namemethyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate
SMILESCOCCc1nc(CCC(=O)OC)cs1
InChIInChI=1S/C10H15NO3S/c1-13-6-5-9-11-8(7-15-9)3-4-10(12)14-2/h7H,3-6H2,1-2H3
InChIKeyRGKFDJUNMFDUMI-UHFFFAOYSA-N
XLogP1.44
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate
CID 94256912
methyl 3-[2-(propoxymethyl)-1,3-thiazol-4-yl]propanoate
CID 107039684
methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040251
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
methyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate
CID 107039879
methyl 3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 107039673
methyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 107039759
methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate
CID 115422665
methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate
CID 107039853
methyl 4-[2-(3-methoxypropylsulfonylamino)-1,3-thiazol-4-yl]butanoate
CID 80655416
methyl 3-[2-(3-methylpentan-3-ylamino)-1,3-thiazol-4-yl]propanoate
CID 106331944
methyl 3-[2-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]propanoate
CID 107039847

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate (CID 107039799) is methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate is COCCc1nc(CCC(=O)OC)cs1.
What is the InChIKey of methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is RGKFDJUNMFDUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-13-6-5-9-11-8(7-15-9)3-4-10(12)14-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 229.30 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 107039799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).