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

C20H24N4O4S — CID 51721981

IUPAC2-[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
SMILESCOc1ccc([C@@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)cc1OCC(N)=O
InChIInChI=1S/C20H24N4O4S/c1-27-14-6-5-12(9-15(14)28-11-16(21)25)13-10-17(26)22-19-18(13)29-20(23-19)24-7-3-2-4-8-24/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H2,21,25)(H,22,26)/t13-/m0/s1
InChIKeyAJNHIFUURWIGLZ-ZDUSSCGKSA-N
MW416.50 g/mol
LogP2.48
Rot. Bonds6

About 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

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 (PubChem CID 51721981) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID51721981
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name2-[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
SMILESCOc1ccc([C@@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)cc1OCC(N)=O
InChIInChI=1S/C20H24N4O4S/c1-27-14-6-5-12(9-15(14)28-11-16(21)25)13-10-17(26)22-19-18(13)29-20(23-19)24-7-3-2-4-8-24/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H2,21,25)(H,22,26)/t13-/m0/s1
InChIKeyAJNHIFUURWIGLZ-ZDUSSCGKSA-N
XLogP2.48
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

7-[4-methoxy-3-(2-methylpropoxy)phenyl]-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 45492136
(7S)-2-piperidin-1-yl-7-(2,3,4-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51720534
(7R)-7-(3-hydroxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51717907
(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
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
2-[2-methoxy-5-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide
CID 135632346
(7S)-2-amino-7-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39338297
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
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-amino-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 16764638
2-[5-(1-cyclopentyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-2-methoxyphenoxy]acetamide
CID 135634261
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc([C@@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)cc1OCC(N)=O.
What is the InChIKey of 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?
The InChIKey is AJNHIFUURWIGLZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-27-14-6-5-12(9-15(14)28-11-16(21)25)13-10-17(26)22-19-18(13)29-20(23-19)24-7-3-2-4-8-24/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H2,21,25)(H,22,26)/t13-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 416.50 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 51721981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).