1-[2-(2-fluoro-6-methoxyphenoxy)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one

C24H23FN4O3S — CID 58541217

IUPAC1-[2-(2-fluoro-6-methoxyphenoxy)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCOc1cccc(F)c1Oc1ccc(NCc2nc[nH]c2C)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C24H23FN4O3S/c1-15-20(29-14-28-15)13-27-17-6-7-21(32-24-19(25)4-3-5-22(24)31-2)16(10-17)11-18(30)12-23-26-8-9-33-23/h3-10,14,27H,11-13H2,1-2H3,(H,28,29)
InChIKeyMZYWFXFJIBASTR-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.08
Rot. Bonds10

About 1-[2-(2-fluoro-6-methoxyphenoxy)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one

1-[2-(2-fluoro-6-methoxyphenoxy)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 58541217) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is 1-[2-(2-fluoro-6-methoxyphenoxy)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-[2-(2-fluoro-6-methoxyphenoxy)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID58541217
Molecular FormulaC24H23FN4O3S
Molecular Weight466.54 g/mol
Exact Mass466.15
IUPAC Name1-[2-(2-fluoro-6-methoxyphenoxy)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCOc1cccc(F)c1Oc1ccc(NCc2nc[nH]c2C)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C24H23FN4O3S/c1-15-20(29-14-28-15)13-27-17-6-7-21(32-24-19(25)4-3-5-22(24)31-2)16(10-17)11-18(30)12-23-26-8-9-33-23/h3-10,14,27H,11-13H2,1-2H3,(H,28,29)
InChIKeyMZYWFXFJIBASTR-UHFFFAOYSA-N
XLogP5.08
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-(2-fluoro-6-methoxyphenoxy)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 58541244
1-[5-(Dipyridin-2-ylamino)-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541357
1-[2-(2-Fluoro-6-methoxyphenoxy)-5-(methylamino)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541417
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 58541430
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1-methylimidazole-4-sulfonamide
CID 58541591
1-[2-(2-Fluoro-6-methoxyphenoxy)-5-(pyridin-3-ylmethylamino)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541608
4-(1H-imidazol-5-yl)-N-[4-octoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58791427
N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(1,3-thiazol-4-yl)acetamide
CID 52933454
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]acetamide
CID 52933937
1-(2-amino-1,3-thiazol-4-yl)-3-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]propan-2-one
CID 157938492

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-6-methoxyphenoxy)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-[2-(2-fluoro-6-methoxyphenoxy)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (CID 58541217) is 1-[2-(2-fluoro-6-methoxyphenoxy)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-[2-(2-fluoro-6-methoxyphenoxy)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-[2-(2-fluoro-6-methoxyphenoxy)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is COc1cccc(F)c1Oc1ccc(NCc2nc[nH]c2C)cc1CC(=O)Cc1nccs1.
What is the InChIKey of 1-[2-(2-fluoro-6-methoxyphenoxy)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is MZYWFXFJIBASTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c1-15-20(29-14-28-15)13-27-17-6-7-21(32-24-19(25)4-3-5-22(24)31-2)16(10-17)11-18(30)12-23-26-8-9-33-23/h3-10,14,27H,11-13H2,1-2H3,(H,28,29).
What are the key properties of 1-[2-(2-fluoro-6-methoxyphenoxy)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
1-[2-(2-fluoro-6-methoxyphenoxy)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 466.54 g/mol, XLogP of 5.08, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-6-methoxyphenoxy)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 58541217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).