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

C21H27NO4S — CID 155133220

IUPACethyl 2-[2-[2-[4-(4-methylpentan-2-yl)phenoxy]acetyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(C(=O)COc2ccc(C(C)CC(C)C)cc2)n1
InChIInChI=1S/C21H27NO4S/c1-5-25-20(24)11-17-13-27-21(22-17)19(23)12-26-18-8-6-16(7-9-18)15(4)10-14(2)3/h6-9,13-15H,5,10-12H2,1-4H3
InChIKeyKTCFKNBCQUWGDP-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.66
Rot. Bonds10

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

ethyl 2-[2-[2-[4-(4-methylpentan-2-yl)phenoxy]acetyl]-1,3-thiazol-4-yl]acetate (PubChem CID 155133220) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is ethyl 2-[2-[2-[4-(4-methylpentan-2-yl)phenoxy]acetyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-[4-(4-methylpentan-2-yl)phenoxy]acetyl]-1,3-thiazol-4-yl]acetate
PubChem CID155133220
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC Nameethyl 2-[2-[2-[4-(4-methylpentan-2-yl)phenoxy]acetyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(C(=O)COc2ccc(C(C)CC(C)C)cc2)n1
InChIInChI=1S/C21H27NO4S/c1-5-25-20(24)11-17-13-27-21(22-17)19(23)12-26-18-8-6-16(7-9-18)15(4)10-14(2)3/h6-9,13-15H,5,10-12H2,1-4H3
InChIKeyKTCFKNBCQUWGDP-UHFFFAOYSA-N
XLogP4.66
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-[2-(4-methylpentan-2-yloxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 134433741
ethyl 2-[2-(2-methoxyacetyl)-1,3-thiazol-4-yl]acetate
CID 155133197
2-[2-[2-(4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159479
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159564
2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159506
2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159664
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-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate
CID 45381899
2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159485
1-ethoxy-4-(4-methylpentan-2-yl)benzene
CID 57011514
ethyl 2-[2-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetate
CID 81312374

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-[4-(4-methylpentan-2-yl)phenoxy]acetyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-[4-(4-methylpentan-2-yl)phenoxy]acetyl]-1,3-thiazol-4-yl]acetate (CID 155133220) is ethyl 2-[2-[2-[4-(4-methylpentan-2-yl)phenoxy]acetyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-[4-(4-methylpentan-2-yl)phenoxy]acetyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-[4-(4-methylpentan-2-yl)phenoxy]acetyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(C(=O)COc2ccc(C(C)CC(C)C)cc2)n1.
What is the InChIKey of ethyl 2-[2-[2-[4-(4-methylpentan-2-yl)phenoxy]acetyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is KTCFKNBCQUWGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-5-25-20(24)11-17-13-27-21(22-17)19(23)12-26-18-8-6-16(7-9-18)15(4)10-14(2)3/h6-9,13-15H,5,10-12H2,1-4H3.
What are the key properties of ethyl 2-[2-[2-[4-(4-methylpentan-2-yl)phenoxy]acetyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-[4-(4-methylpentan-2-yl)phenoxy]acetyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 389.52 g/mol, XLogP of 4.66, 10 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-(4-methylpentan-2-yl)phenoxy]acetyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 155133220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).