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

C20H16FNO3S — CID 58541247

IUPAC1-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCOc1ccccc1C(=O)c1ccc(F)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C20H16FNO3S/c1-25-18-5-3-2-4-17(18)20(24)16-7-6-14(21)10-13(16)11-15(23)12-19-22-8-9-26-19/h2-10H,11-12H2,1H3
InChIKeyGJPNNEGZLFBTPC-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.88
Rot. Bonds7

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

1-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 58541247) has the molecular formula C20H16FNO3S and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID58541247
Molecular FormulaC20H16FNO3S
Molecular Weight369.42 g/mol
Exact Mass369.08
IUPAC Name1-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCOc1ccccc1C(=O)c1ccc(F)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C20H16FNO3S/c1-25-18-5-3-2-4-17(18)20(24)16-7-6-14(21)10-13(16)11-15(23)12-19-22-8-9-26-19/h2-10H,11-12H2,1H3
InChIKeyGJPNNEGZLFBTPC-UHFFFAOYSA-N
XLogP3.88
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(5-Fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225000
3-[3-(2-Fluoro-6-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225018
3-[3-(2,3-Difluoro-6-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225019
3-[3-(4-Fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225029
3-[3-(3-Fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225034
(5-Fluoro-2-methoxyphenyl){1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidinyl}methanone
CID 16191148
3-Thiazolylchromone
CID 101428046
1-(1,3-Thiazol-2-yl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]pentan-1-one
CID 21350323
[2-Methoxy-5-(1,3-thiazol-2-yl)phenyl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 57949255
1-[2-(2,6-Difluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541161
Ethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate
CID 58541165
1-(1,3-Thiazol-2-yl)-3-[2-(2,4,6-trifluorophenoxy)phenyl]propan-2-one
CID 58541173

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (CID 58541247) is 1-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is COc1ccccc1C(=O)c1ccc(F)cc1CC(=O)Cc1nccs1.
What is the InChIKey of 1-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is GJPNNEGZLFBTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3S/c1-25-18-5-3-2-4-17(18)20(24)16-7-6-14(21)10-13(16)11-15(23)12-19-22-8-9-26-19/h2-10H,11-12H2,1H3.
What are the key properties of 1-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
1-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 369.42 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 58541247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).