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

C26H26FNO5S — CID 58541226

IUPAC1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-methoxypentan-2-one
SMILESCOCCCC(=O)Cc1csc(CC(=O)Cc2cc(F)ccc2C(=O)c2ccccc2OC)n1
InChIInChI=1S/C26H26FNO5S/c1-32-11-5-6-20(29)14-19-16-34-25(28-19)15-21(30)13-17-12-18(27)9-10-22(17)26(31)23-7-3-4-8-24(23)33-2/h3-4,7-10,12,16H,5-6,11,13-15H2,1-2H3
InChIKeyDBJFUHOBEHDXQL-UHFFFAOYSA-N
MW483.56 g/mol
LogP4.41
Rot. Bonds13

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

1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-methoxypentan-2-one (PubChem CID 58541226) has the molecular formula C26H26FNO5S and a molecular weight of 483.56 g/mol. Its IUPAC name is 1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-methoxypentan-2-one.

Molecular Properties

Compound Name1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-methoxypentan-2-one
PubChem CID58541226
Molecular FormulaC26H26FNO5S
Molecular Weight483.56 g/mol
Exact Mass483.15
IUPAC Name1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-methoxypentan-2-one
SMILESCOCCCC(=O)Cc1csc(CC(=O)Cc2cc(F)ccc2C(=O)c2ccccc2OC)n1
InChIInChI=1S/C26H26FNO5S/c1-32-11-5-6-20(29)14-19-16-34-25(28-19)15-21(30)13-17-12-18(27)9-10-22(17)26(31)23-7-3-4-8-24(23)33-2/h3-4,7-10,12,16H,5-6,11,13-15H2,1-2H3
InChIKeyDBJFUHOBEHDXQL-UHFFFAOYSA-N
XLogP4.41
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-Methoxyphenyl)(2-phenylthiazol-4-yl)methanone
CID 25258604
5-Methyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
CID 76336524
7,8-Dimethyl-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one
CID 3254004
Jxoypfaanzrlsx-uhfffaoysa-
CID 12753576
Ethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate
CID 58541165
1-[5-Fluoro-2-(2-methoxybenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541247
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-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-methoxypentan-2-one
CID 58541460
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
2-{[4-(2-{[4'-Fluoro-3-(methoxycarbonyl)biphenyl-4-yl]oxy}ethyl)-1,3-thiazol-2-yl]thio}-2-methylpropionic acid
CID 59759379
1-[4-[2-[4-(5-Fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetyl]phenyl]propan-2-one
CID 148013935

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-methoxypentan-2-one?
The IUPAC name of 1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-methoxypentan-2-one (CID 58541226) is 1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-methoxypentan-2-one.
What is the SMILES notation for 1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-methoxypentan-2-one?
The canonical SMILES for 1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-methoxypentan-2-one is COCCCC(=O)Cc1csc(CC(=O)Cc2cc(F)ccc2C(=O)c2ccccc2OC)n1.
What is the InChIKey of 1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-methoxypentan-2-one?
The InChIKey is DBJFUHOBEHDXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO5S/c1-32-11-5-6-20(29)14-19-16-34-25(28-19)15-21(30)13-17-12-18(27)9-10-22(17)26(31)23-7-3-4-8-24(23)33-2/h3-4,7-10,12,16H,5-6,11,13-15H2,1-2H3.
What are the key properties of 1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-methoxypentan-2-one?
1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-methoxypentan-2-one has a molecular weight of 483.56 g/mol, XLogP of 4.41, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-methoxypentan-2-one is sourced from PubChem (CID 58541226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).