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

C13H22N2O4S — CID 80575730

IUPACmethyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOCCN(c1nc(CC(=O)OC)cs1)C(C)COC
InChIInChI=1S/C13H22N2O4S/c1-10(8-18-3)15(5-6-17-2)13-14-11(9-20-13)7-12(16)19-4/h9-10H,5-8H2,1-4H3
InChIKeyNBOYFZDGBYYAPL-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.35
Rot. Bonds9

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

methyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80575730) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is methyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID80575730
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Namemethyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOCCN(c1nc(CC(=O)OC)cs1)C(C)COC
InChIInChI=1S/C13H22N2O4S/c1-10(8-18-3)15(5-6-17-2)13-14-11(9-20-13)7-12(16)19-4/h9-10H,5-8H2,1-4H3
InChIKeyNBOYFZDGBYYAPL-UHFFFAOYSA-N
XLogP1.35
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
CID 82952489
methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576775
methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate
CID 80575671
2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80575301
3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486550
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82965911
methyl 2-[2-[2-cyanopropyl(ethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575733
methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040251
methyl 2-[2-[2-cyanoethyl(2-methylpropyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575232
methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575881
methyl 2-[2-[bis(cyanomethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575367

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate (CID 80575730) is methyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate is COCCN(c1nc(CC(=O)OC)cs1)C(C)COC.
What is the InChIKey of methyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is NBOYFZDGBYYAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-10(8-18-3)15(5-6-17-2)13-14-11(9-20-13)7-12(16)19-4/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 302.40 g/mol, XLogP of 1.35, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80575730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).