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

C11H18N2O3S — CID 107039879

IUPACmethyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate
SMILESCOCC(C)Nc1nc(CCC(=O)OC)cs1
InChIInChI=1S/C11H18N2O3S/c1-8(6-15-2)12-11-13-9(7-17-11)4-5-10(14)16-3/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeyWUJXQCQNWZMZJN-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.70
Rot. Bonds7

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

methyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate (PubChem CID 107039879) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is methyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate
PubChem CID107039879
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Namemethyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate
SMILESCOCC(C)Nc1nc(CCC(=O)OC)cs1
InChIInChI=1S/C11H18N2O3S/c1-8(6-15-2)12-11-13-9(7-17-11)4-5-10(14)16-3/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeyWUJXQCQNWZMZJN-UHFFFAOYSA-N
XLogP1.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate 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

methyl 3-[2-[(1-amino-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040035
ethyl 3-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate
CID 103486713
ethyl 2-[2-[[(2R)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 97170705
methyl 3-[2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 114168223
methyl 3-[2-(2,3-dimethylbutylamino)-1,3-thiazol-4-yl]propanoate
CID 107040453
methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate
CID 107039799
methyl 3-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]propanoate
CID 107040131
methyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate
CID 107040655
methyl 3-[2-(1-cyclopropylbutan-2-ylamino)-1,3-thiazol-4-yl]propanoate
CID 107040405
methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate
CID 107039853
methyl 3-[2-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]propanoate
CID 107039847
methyl 3-[2-(3-methylpentan-3-ylamino)-1,3-thiazol-4-yl]propanoate
CID 106331944

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate (CID 107039879) is methyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate is COCC(C)Nc1nc(CCC(=O)OC)cs1.
What is the InChIKey of methyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate?
The InChIKey is WUJXQCQNWZMZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8(6-15-2)12-11-13-9(7-17-11)4-5-10(14)16-3/h7-8H,4-6H2,1-3H3,(H,12,13).
What are the key properties of methyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate has a molecular weight of 258.34 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 107039879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).