ethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate

C15H23NO3S — CID 116744539

IUPACethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(C2(OC)CCCCCC2)n1
InChIInChI=1S/C15H23NO3S/c1-3-19-13(17)10-12-11-20-14(16-12)15(18-2)8-6-4-5-7-9-15/h11H,3-10H2,1-2H3
InChIKeyOPKYTYURMWOQDR-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.44
Rot. Bonds5

About ethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate (PubChem CID 116744539) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate
PubChem CID116744539
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Nameethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(C2(OC)CCCCCC2)n1
InChIInChI=1S/C15H23NO3S/c1-3-19-13(17)10-12-11-20-14(16-12)15(18-2)8-6-4-5-7-9-15/h11H,3-10H2,1-2H3
InChIKeyOPKYTYURMWOQDR-UHFFFAOYSA-N
XLogP3.44
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetic acid
CID 116744490
ethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate
CID 80574312
4-(chloromethyl)-2-(1-methoxycycloheptyl)-1,3-thiazole
CID 116744317
[2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine
CID 116727873
ethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate
CID 80573999
methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 107039795
methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate
CID 116744559
ethyl 2-[2-[(1-methylcyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 78909599
ethyl 2-[2-(azepan-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574155
ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
CID 80602146
ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate
CID 80574122
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate (CID 116744539) is ethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(C2(OC)CCCCCC2)n1.
What is the InChIKey of ethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is OPKYTYURMWOQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-19-13(17)10-12-11-20-14(16-12)15(18-2)8-6-4-5-7-9-15/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 297.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 116744539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).