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

C13H19NO4S — CID 116744559

IUPACmethyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate
SMILESCCOC1(c2nc(CC(=O)OC)cs2)CCOCC1
InChIInChI=1S/C13H19NO4S/c1-3-18-13(4-6-17-7-5-13)12-14-10(9-19-12)8-11(15)16-2/h9H,3-8H2,1-2H3
InChIKeyZKNCEQMAISJQCU-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.90
Rot. Bonds5

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

methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 116744559) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate
PubChem CID116744559
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Namemethyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate
SMILESCCOC1(c2nc(CC(=O)OC)cs2)CCOCC1
InChIInChI=1S/C13H19NO4S/c1-3-18-13(4-6-17-7-5-13)12-14-10(9-19-12)8-11(15)16-2/h9H,3-8H2,1-2H3
InChIKeyZKNCEQMAISJQCU-UHFFFAOYSA-N
XLogP1.90
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774727
2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole
CID 116782769
methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 107039795
2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine
CID 116782575
1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116774707
ethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate
CID 116744539
[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol
CID 116782420
ethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate
CID 80574312
4-(3-chloropropyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole
CID 116744349
methyl 2-[2-[(3-methyloxan-3-yl)amino]-1,3-thiazol-4-yl]acetate
CID 114114668
2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetic acid
CID 116744490
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate (CID 116744559) is methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate is CCOC1(c2nc(CC(=O)OC)cs2)CCOCC1.
What is the InChIKey of methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is ZKNCEQMAISJQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-3-18-13(4-6-17-7-5-13)12-14-10(9-19-12)8-11(15)16-2/h9H,3-8H2,1-2H3.
What are the key properties of methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 285.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 116744559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).