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

C8H11NO3S — CID 115422665

IUPACmethyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate
SMILESCOCCc1nc(C(=O)OC)cs1
InChIInChI=1S/C8H11NO3S/c1-11-4-3-7-9-6(5-13-7)8(10)12-2/h5H,3-4H2,1-2H3
InChIKeyGCGYIDZEROOMKD-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.12
Rot. Bonds4

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

methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate (PubChem CID 115422665) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate
PubChem CID115422665
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Namemethyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate
SMILESCOCCc1nc(C(=O)OC)cs1
InChIInChI=1S/C8H11NO3S/c1-11-4-3-7-9-6(5-13-7)8(10)12-2/h5H,3-4H2,1-2H3
InChIKeyGCGYIDZEROOMKD-UHFFFAOYSA-N
XLogP1.12
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(chloromethyl)-1,3-thiazole-4-carboxylate
CID 25067319
methyl 2-(sulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 165481836
methyl 2-[[(2-methoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 110460512
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 104562946
methyl 2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 78918624
methyl 2-[(4-bromophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 53407511
methyl 2-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 5018166
methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate
CID 107039799
methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate
CID 114098751
methyl 2-[[3,3-dimethylbutanoyl(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 4206888
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate
CID 113307080

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate (CID 115422665) is methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate is COCCc1nc(C(=O)OC)cs1.
What is the InChIKey of methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is GCGYIDZEROOMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-11-4-3-7-9-6(5-13-7)8(10)12-2/h5H,3-4H2,1-2H3.
What are the key properties of methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate?
methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 201.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115422665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).