methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate

C9H13NO3S — CID 79832555

IUPACmethyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(C(C)OC)nc1C
InChIInChI=1S/C9H13NO3S/c1-5-7(9(11)13-4)14-8(10-5)6(2)12-3/h6H,1-4H3
InChIKeyGMFOQVBYHNUZMN-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.95
Rot. Bonds3

About methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 79832555) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID79832555
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Namemethyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(C(C)OC)nc1C
InChIInChI=1S/C9H13NO3S/c1-5-7(9(11)13-4)14-8(10-5)6(2)12-3/h6H,1-4H3
InChIKeyGMFOQVBYHNUZMN-UHFFFAOYSA-N
XLogP1.95
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 82115430
methyl 2-(1-methoxybutyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 116705463
N-[(2R)-1-amino-2,4-dimethylpentan-2-yl]-2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 100644918
2-[(1S)-1-methoxyethyl]-4-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide
CID 96528854
methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 114102391
[2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119491492
(2S)-1-[2-[(1S)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 124688096
2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360098
methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 154733975
[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 96543865
(3S)-1-[2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610485
[4-(aminomethyl)piperidin-1-yl]-[2-[(1S)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]methanone
CID 124688093

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 79832555) is methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(C(C)OC)nc1C.
What is the InChIKey of methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is GMFOQVBYHNUZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-5-7(9(11)13-4)14-8(10-5)6(2)12-3/h6H,1-4H3.
What are the key properties of methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 215.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 79832555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).