methyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate

C12H18N2O3S — CID 80575913

IUPACmethyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NCCC2CCCO2)n1
InChIInChI=1S/C12H18N2O3S/c1-16-11(15)7-9-8-18-12(14-9)13-5-4-10-3-2-6-17-10/h8,10H,2-7H2,1H3,(H,13,14)
InChIKeyYWLNWUCLDCFOKZ-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.84
Rot. Bonds6

About methyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 80575913) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
PubChem CID80575913
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NCCC2CCCO2)n1
InChIInChI=1S/C12H18N2O3S/c1-16-11(15)7-9-8-18-12(14-9)13-5-4-10-3-2-6-17-10/h8,10H,2-7H2,1H3,(H,13,14)
InChIKeyYWLNWUCLDCFOKZ-UHFFFAOYSA-N
XLogP1.84
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate 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 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405
methyl 3-[2-(oxan-2-ylmethylamino)-1,3-thiazol-4-yl]propanoate
CID 107040089
methyl 3-[2-(2-cyclobutylethylamino)-1,3-thiazol-4-yl]propanoate
CID 107040630
methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate
CID 80575758
methyl 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazol-4-yl]acetate
CID 80574678
methyl 2-[2-[2-(dimethylcarbamoylamino)ethylamino]-1,3-thiazol-4-yl]acetate
CID 83117388
methyl 2-[2-(bicyclo[3.1.0]hexane-6-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 79600201
ethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80574669
methyl 2-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80576697
methyl 2-[2-[2-(trifluoromethylsulfanyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 106433870
methyl 2-[2-[2-(4-methoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78915824
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide
CID 65155345

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate (CID 80575913) is methyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NCCC2CCCO2)n1.
What is the InChIKey of methyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is YWLNWUCLDCFOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-16-11(15)7-9-8-18-12(14-9)13-5-4-10-3-2-6-17-10/h8,10H,2-7H2,1H3,(H,13,14).
What are the key properties of methyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 270.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80575913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).