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

C24H22FNO4S — CID 58541525

IUPAC1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]butan-2-one
SMILESCCC(=O)Cc1csc(CC(=O)Cc2cc(F)ccc2C(=O)c2ccccc2OC)n1
InChIInChI=1S/C24H22FNO4S/c1-3-18(27)12-17-14-31-23(26-17)13-19(28)11-15-10-16(25)8-9-20(15)24(29)21-6-4-5-7-22(21)30-2/h4-10,14H,3,11-13H2,1-2H3
InChIKeyIQTGSOWDNXTKAX-UHFFFAOYSA-N
MW439.51 g/mol
LogP4.40
Rot. Bonds10

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

1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]butan-2-one (PubChem CID 58541525) has the molecular formula C24H22FNO4S and a molecular weight of 439.51 g/mol. Its IUPAC name is 1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]butan-2-one.

Molecular Properties

Compound Name1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]butan-2-one
PubChem CID58541525
Molecular FormulaC24H22FNO4S
Molecular Weight439.51 g/mol
Exact Mass439.13
IUPAC Name1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]butan-2-one
SMILESCCC(=O)Cc1csc(CC(=O)Cc2cc(F)ccc2C(=O)c2ccccc2OC)n1
InChIInChI=1S/C24H22FNO4S/c1-3-18(27)12-17-14-31-23(26-17)13-19(28)11-15-10-16(25)8-9-20(15)24(29)21-6-4-5-7-22(21)30-2/h4-10,14H,3,11-13H2,1-2H3
InChIKeyIQTGSOWDNXTKAX-UHFFFAOYSA-N
XLogP4.40
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]butan-2-one with MolForge

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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
(2-Chloro-1,3-thiazol-4-yl)-[2-(fluoromethoxy)phenyl]methanone
CID 19841641
Ethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate
CID 58541165
1-[2-[3-[5-Fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-methoxypentan-2-one
CID 58541226
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
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

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]butan-2-one?
The IUPAC name of 1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]butan-2-one (CID 58541525) is 1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]butan-2-one.
What is the SMILES notation for 1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]butan-2-one?
The canonical SMILES for 1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]butan-2-one is CCC(=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]butan-2-one?
The InChIKey is IQTGSOWDNXTKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO4S/c1-3-18(27)12-17-14-31-23(26-17)13-19(28)11-15-10-16(25)8-9-20(15)24(29)21-6-4-5-7-22(21)30-2/h4-10,14H,3,11-13H2,1-2H3.
What are the key properties of 1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]butan-2-one?
1-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]butan-2-one has a molecular weight of 439.51 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 6 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]butan-2-one is sourced from PubChem (CID 58541525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).