1-[5-amino-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one

C19H17FN2O3S — CID 58541325

IUPAC1-[5-amino-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCOc1cccc(F)c1Oc1ccc(N)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C19H17FN2O3S/c1-24-17-4-2-3-15(20)19(17)25-16-6-5-13(21)9-12(16)10-14(23)11-18-22-7-8-26-18/h2-9H,10-11,21H2,1H3
InChIKeyWLIAOTNHCNCCBR-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.02
Rot. Bonds7

About 1-[5-amino-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one

1-[5-amino-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 58541325) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-[5-amino-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-[5-amino-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID58541325
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name1-[5-amino-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCOc1cccc(F)c1Oc1ccc(N)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C19H17FN2O3S/c1-24-17-4-2-3-15(20)19(17)25-16-6-5-13(21)9-12(16)10-14(23)11-18-22-7-8-26-18/h2-9H,10-11,21H2,1H3
InChIKeyWLIAOTNHCNCCBR-UHFFFAOYSA-N
XLogP4.02
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-dodecoxy-3-fluorophenyl)-N-[3-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl]acetamide
CID 19923585
2-(3-fluoro-2-tetradecoxyphenyl)-N-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide
CID 19924143
2-(3-fluoro-2-tetradecoxyphenyl)-N-[3-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl]acetamide
CID 19924606
N-[3-(3-ethyl-1,3-thiazol-3-ium-2-yl)phenyl]-2-(3-fluoro-2-tetradecoxyphenyl)acetamide
CID 19925009
2-(3-fluoro-2-tetradecoxyphenyl)-N-[4-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide
CID 19925335
1-[5-(Dimethylamino)-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541166
1-[5-Fluoro-2-(2-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541175
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1-methylsulfonylmethanesulfonamide
CID 58541201
1-[2-(2-Fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541216
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-2-carboxamide
CID 58541222
tert-butyl N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]carbamate
CID 58541228
1-[2-(2,3-Dimethoxyphenoxy)-4,5-difluorophenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541241

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-[5-amino-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (CID 58541325) is 1-[5-amino-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-[5-amino-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-[5-amino-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is COc1cccc(F)c1Oc1ccc(N)cc1CC(=O)Cc1nccs1.
What is the InChIKey of 1-[5-amino-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is WLIAOTNHCNCCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-24-17-4-2-3-15(20)19(17)25-16-6-5-13(21)9-12(16)10-14(23)11-18-22-7-8-26-18/h2-9H,10-11,21H2,1H3.
What are the key properties of 1-[5-amino-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
1-[5-amino-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 372.42 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 58541325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).