ethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate

C24H22FNO5S — CID 58541165

IUPACethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(CC(=O)Cc2cc(F)ccc2C(=O)c2ccccc2OC)n1
InChIInChI=1S/C24H22FNO5S/c1-3-31-23(28)12-17-14-32-22(26-17)13-18(27)11-15-10-16(25)8-9-19(15)24(29)20-6-4-5-7-21(20)30-2/h4-10,14H,3,11-13H2,1-2H3
InChIKeyBZIMTCQRGHLVQA-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.98
Rot. Bonds10

About ethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate (PubChem CID 58541165) has the molecular formula C24H22FNO5S and a molecular weight of 455.51 g/mol. Its IUPAC name is ethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate
PubChem CID58541165
Molecular FormulaC24H22FNO5S
Molecular Weight455.51 g/mol
Exact Mass455.12
IUPAC Nameethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(CC(=O)Cc2cc(F)ccc2C(=O)c2ccccc2OC)n1
InChIInChI=1S/C24H22FNO5S/c1-3-31-23(28)12-17-14-32-22(26-17)13-18(27)11-15-10-16(25)8-9-19(15)24(29)20-6-4-5-7-21(20)30-2/h4-10,14H,3,11-13H2,1-2H3
InChIKeyBZIMTCQRGHLVQA-UHFFFAOYSA-N
XLogP3.98
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-Methyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
CID 76336524
1-[2-[3-[5-Fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-methoxypentan-2-one
CID 58541226
2-[2-[3-[5-Fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid
CID 58541234
1-[5-Fluoro-2-(2-methoxybenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541247
Methyl 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoate
CID 58541360
2-[2-[3-[5-Fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid
CID 58541404
1-[2-[3-[5-Fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]butan-2-one
CID 58541525
4-(2-{2-[(2-Tert-butoxy-1,1-dimethyl-2-oxoethyl)thio]-1,3-thiazol-4-yl}ethoxy)-4'-fluoro-biphenyl-3-carboxylic acid methyl ester
CID 59758832
4'-Fluoro-4-(2-{2-[(2-tert-butoxy-1,1-dimethyl-2-oxoethyl)thio]-1,3-thiazol-4-yl}ethoxy)biphenyl-3-carboxylic acid
CID 59759162
2-[[4-[2-[2-Carbamoyl-4-(4-fluorophenyl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]-2-methylpropanoic acid
CID 59759263
2-{[4-(2-{[4'-Fluoro-3-(methoxycarbonyl)biphenyl-4-yl]oxy}ethyl)-1,3-thiazol-2-yl]thio}-2-methylpropionic acid
CID 59759379
5-(4-Fluorophenyl)-2-[2-[2-(2,4,4-trimethyl-3-oxopentan-2-yl)sulfanyl-1,3-thiazol-4-yl]ethoxy]benzoic acid
CID 67398829

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate (CID 58541165) is ethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(CC(=O)Cc2cc(F)ccc2C(=O)c2ccccc2OC)n1.
What is the InChIKey of ethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is BZIMTCQRGHLVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO5S/c1-3-31-23(28)12-17-14-32-22(26-17)13-18(27)11-15-10-16(25)8-9-19(15)24(29)20-6-4-5-7-21(20)30-2/h4-10,14H,3,11-13H2,1-2H3.
What are the key properties of ethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 455.51 g/mol, XLogP of 3.98, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 58541165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).