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

C13H20N2O3S — CID 107040089

IUPACmethyl 3-[2-(oxan-2-ylmethylamino)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(NCC2CCCCO2)n1
InChIInChI=1S/C13H20N2O3S/c1-17-12(16)6-5-10-9-19-13(15-10)14-8-11-4-2-3-7-18-11/h9,11H,2-8H2,1H3,(H,14,15)
InChIKeyPOCNITCAPMEMDN-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.23
Rot. Bonds6

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

methyl 3-[2-(oxan-2-ylmethylamino)-1,3-thiazol-4-yl]propanoate (PubChem CID 107040089) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl 3-[2-(oxan-2-ylmethylamino)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(oxan-2-ylmethylamino)-1,3-thiazol-4-yl]propanoate
PubChem CID107040089
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Namemethyl 3-[2-(oxan-2-ylmethylamino)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(NCC2CCCCO2)n1
InChIInChI=1S/C13H20N2O3S/c1-17-12(16)6-5-10-9-19-13(15-10)14-8-11-4-2-3-7-18-11/h9,11H,2-8H2,1H3,(H,14,15)
InChIKeyPOCNITCAPMEMDN-UHFFFAOYSA-N
XLogP2.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[2-(oxan-2-ylmethylamino)-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-(2-cyclobutylethylamino)-1,3-thiazol-4-yl]propanoate
CID 107040630
methyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80575913
methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate
CID 107039853
methyl 3-[2-[(2-methylcyclohexyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107039923
methyl 3-[2-(1,4-dithian-2-ylmethylamino)-1,3-thiazol-4-yl]propanoate
CID 107040642
ethyl 3-[2-[(2-methylcyclohexyl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103486514
methyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 114096870
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405
methyl 3-[2-(2,3-dimethylbutylamino)-1,3-thiazol-4-yl]propanoate
CID 107040453
methyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate
CID 107040655
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850
methyl 3-[2-[(2,2-dimethylcyclopentyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040507

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(oxan-2-ylmethylamino)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-(oxan-2-ylmethylamino)-1,3-thiazol-4-yl]propanoate (CID 107040089) is methyl 3-[2-(oxan-2-ylmethylamino)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(oxan-2-ylmethylamino)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-(oxan-2-ylmethylamino)-1,3-thiazol-4-yl]propanoate is COC(=O)CCc1csc(NCC2CCCCO2)n1.
What is the InChIKey of methyl 3-[2-(oxan-2-ylmethylamino)-1,3-thiazol-4-yl]propanoate?
The InChIKey is POCNITCAPMEMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-17-12(16)6-5-10-9-19-13(15-10)14-8-11-4-2-3-7-18-11/h9,11H,2-8H2,1H3,(H,14,15).
What are the key properties of methyl 3-[2-(oxan-2-ylmethylamino)-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-(oxan-2-ylmethylamino)-1,3-thiazol-4-yl]propanoate has a molecular weight of 284.38 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(oxan-2-ylmethylamino)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 107040089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).