2-[5-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide

C21H18FN3O4S — CID 51688051

IUPAC2-[5-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide
SMILESCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)nsc32)cc1OCC(N)=O
InChIInChI=1S/C21H18FN3O4S/c1-28-15-7-4-12(8-16(15)29-10-17(23)26)14-9-18(27)24-20-19(25-30-21(14)20)11-2-5-13(22)6-3-11/h2-8,14H,9-10H2,1H3,(H2,23,26)(H,24,27)/t14-/m0/s1
InChIKeyXEGOFWWAVVCHEH-AWEZNQCLSA-N
MW427.46 g/mol
LogP3.30
Rot. Bonds6

About 2-[5-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide

2-[5-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide (PubChem CID 51688051) has the molecular formula C21H18FN3O4S and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-[5-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[5-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide
PubChem CID51688051
Molecular FormulaC21H18FN3O4S
Molecular Weight427.46 g/mol
Exact Mass427.10
IUPAC Name2-[5-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide
SMILESCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)nsc32)cc1OCC(N)=O
InChIInChI=1S/C21H18FN3O4S/c1-28-15-7-4-12(8-16(15)29-10-17(23)26)14-9-18(27)24-20-19(25-30-21(14)20)11-2-5-13(22)6-3-11/h2-8,14H,9-10H2,1H3,(H2,23,26)(H,24,27)/t14-/m0/s1
InChIKeyXEGOFWWAVVCHEH-AWEZNQCLSA-N
XLogP3.30
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methoxy-5-(5-oxo-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl)phenoxy]acetamide
CID 43819124
(7R)-3,7-bis(4-fluorophenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688636
7-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 53047090
(7S)-7-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 95061138
2-[2-methoxy-4-[(7S)-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide
CID 94086184
(7S)-7-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid
CID 95167224
(7R)-7-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 95061245
(7R)-7-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086539
2-[2-methoxy-5-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide
CID 135632346
2-[2-methoxy-4-[(7R)-3-(4-methylphenyl)sulfonyl-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide
CID 95061698
2-[5-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide
CID 136826050
2-[2-methoxy-5-[(7S)-5-oxo-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide
CID 51721981

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[5-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide (CID 51688051) is 2-[5-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[5-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[5-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide is COc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)nsc32)cc1OCC(N)=O.
What is the InChIKey of 2-[5-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide?
The InChIKey is XEGOFWWAVVCHEH-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H18FN3O4S/c1-28-15-7-4-12(8-16(15)29-10-17(23)26)14-9-18(27)24-20-19(25-30-21(14)20)11-2-5-13(22)6-3-11/h2-8,14H,9-10H2,1H3,(H2,23,26)(H,24,27)/t14-/m0/s1.
What are the key properties of 2-[5-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide?
2-[5-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide has a molecular weight of 427.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 51688051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).