ethyl 2-[2-[2-(4-methylpentan-2-yloxy)acetyl]-1,3-thiazol-4-yl]acetate

C15H23NO4S — CID 134433741

IUPACethyl 2-[2-[2-(4-methylpentan-2-yloxy)acetyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(C(=O)COC(C)CC(C)C)n1
InChIInChI=1S/C15H23NO4S/c1-5-19-14(18)7-12-9-21-15(16-12)13(17)8-20-11(4)6-10(2)3/h9-11H,5-8H2,1-4H3
InChIKeyZHGNFPOFTKVYDP-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.88
Rot. Bonds9

About ethyl 2-[2-[2-(4-methylpentan-2-yloxy)acetyl]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[2-(4-methylpentan-2-yloxy)acetyl]-1,3-thiazol-4-yl]acetate (PubChem CID 134433741) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is ethyl 2-[2-[2-(4-methylpentan-2-yloxy)acetyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(4-methylpentan-2-yloxy)acetyl]-1,3-thiazol-4-yl]acetate
PubChem CID134433741
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Nameethyl 2-[2-[2-(4-methylpentan-2-yloxy)acetyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(C(=O)COC(C)CC(C)C)n1
InChIInChI=1S/C15H23NO4S/c1-5-19-14(18)7-12-9-21-15(16-12)13(17)8-20-11(4)6-10(2)3/h9-11H,5-8H2,1-4H3
InChIKeyZHGNFPOFTKVYDP-UHFFFAOYSA-N
XLogP2.88
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(2-methoxyacetyl)-1,3-thiazol-4-yl]acetate
CID 155133197
ethyl 2-[2-[2-[4-(4-methylpentan-2-yl)phenoxy]acetyl]-1,3-thiazol-4-yl]acetate
CID 155133220
ethyl 2-[2-(4-methylpentan-2-ylamino)-1,3-thiazol-4-yl]acetate
CID 80574798
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
ethyl 2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 119672769
ethyl 4-(propan-2-yloxymethyl)-1,3-thiazole-2-carboxylate
CID 121302206
ethyl 2-[2-(azepan-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574155
ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate
CID 107380027
ethyl 2-[2-[[1-[cyano(methyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 87953242
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
ethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80574823
ethyl 2-[2-(4-methylpentylamino)-1,3-thiazol-4-yl]acetate
CID 80576900

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(4-methylpentan-2-yloxy)acetyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-(4-methylpentan-2-yloxy)acetyl]-1,3-thiazol-4-yl]acetate (CID 134433741) is ethyl 2-[2-[2-(4-methylpentan-2-yloxy)acetyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-(4-methylpentan-2-yloxy)acetyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-(4-methylpentan-2-yloxy)acetyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(C(=O)COC(C)CC(C)C)n1.
What is the InChIKey of ethyl 2-[2-[2-(4-methylpentan-2-yloxy)acetyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is ZHGNFPOFTKVYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-5-19-14(18)7-12-9-21-15(16-12)13(17)8-20-11(4)6-10(2)3/h9-11H,5-8H2,1-4H3.
What are the key properties of ethyl 2-[2-[2-(4-methylpentan-2-yloxy)acetyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-(4-methylpentan-2-yloxy)acetyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 313.42 g/mol, XLogP of 2.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(4-methylpentan-2-yloxy)acetyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 134433741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).