methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate

C11H18N2O3S — CID 80576775

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

About methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80576775) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID80576775
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Namemethyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOCCCN(C)c1nc(CC(=O)OC)cs1
InChIInChI=1S/C11H18N2O3S/c1-13(5-4-6-15-2)11-12-9(8-17-11)7-10(14)16-3/h8H,4-7H2,1-3H3
InChIKeyADPJMUUJPKELOJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544241
methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040251
methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575881
methyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576618
methyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80575730
methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate
CID 80575671
methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107039998
methyl 2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-4-yl]acetate
CID 80576669
methyl 2-[2-[bis(cyanomethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575367
4-(1-aminoethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine
CID 64543577
methyl 3-[2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040512
methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62589885

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate (CID 80576775) is methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate is COCCCN(C)c1nc(CC(=O)OC)cs1.
What is the InChIKey of methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ADPJMUUJPKELOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-13(5-4-6-15-2)11-12-9(8-17-11)7-10(14)16-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate 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 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80576775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).