1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one

C23H21NO3S — CID 147105479

IUPAC1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(C(=O)Cc2nc(-c3ccc(CC(C)=O)cc3)cs2)cc1
InChIInChI=1S/C23H21NO3S/c1-15(25)11-17-3-7-19(8-4-17)21-14-28-23(24-21)13-22(27)20-9-5-18(6-10-20)12-16(2)26/h3-10,14H,11-13H2,1-2H3
InChIKeyBLLZHJGBFPSGRF-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.50
Rot. Bonds8

About 1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one

1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one (PubChem CID 147105479) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one
PubChem CID147105479
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC Name1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(C(=O)Cc2nc(-c3ccc(CC(C)=O)cc3)cs2)cc1
InChIInChI=1S/C23H21NO3S/c1-15(25)11-17-3-7-19(8-4-17)21-14-28-23(24-21)13-22(27)20-9-5-18(6-10-20)12-16(2)26/h3-10,14H,11-13H2,1-2H3
InChIKeyBLLZHJGBFPSGRF-UHFFFAOYSA-N
XLogP4.50
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one with MolForge

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Related Compounds

1-[4-[2-(4-tert-butyl-1,3-thiazol-2-yl)acetyl]phenyl]propan-2-one
CID 149310897
ethyl 2-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]acetate
CID 147288779
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone
CID 102923178
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516
3-[4-[2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetyl]phenyl]prop-2-ynoic acid
CID 59160805
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966447
2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 8964779
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone
CID 112731528
1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 115781573
4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid
CID 63152487
1-(4-methoxyphenyl)-2-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]ethanone
CID 158335726
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
CID 116966409

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one?
The IUPAC name of 1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one (CID 147105479) is 1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one is CC(=O)Cc1ccc(C(=O)Cc2nc(-c3ccc(CC(C)=O)cc3)cs2)cc1.
What is the InChIKey of 1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one?
The InChIKey is BLLZHJGBFPSGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3S/c1-15(25)11-17-3-7-19(8-4-17)21-14-28-23(24-21)13-22(27)20-9-5-18(6-10-20)12-16(2)26/h3-10,14H,11-13H2,1-2H3.
What are the key properties of 1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one?
1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one has a molecular weight of 391.49 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one is sourced from PubChem (CID 147105479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).