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

C15H16N4O3S — CID 52897805

IUPAC2-[3-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide
SMILESCNc1nc2c(s1)[C@H](c1cccc(OCC(N)=O)c1)CC(=O)N2
InChIInChI=1S/C15H16N4O3S/c1-17-15-19-14-13(23-15)10(6-12(21)18-14)8-3-2-4-9(5-8)22-7-11(16)20/h2-5,10H,6-7H2,1H3,(H2,16,20)(H,17,19)(H,18,21)/t10-/m0/s1
InChIKeyQARCYMNWFAIZMP-JTQLQIEISA-N
MW332.39 g/mol
LogP1.52
Rot. Bonds5

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

2-[3-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide (PubChem CID 52897805) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-[3-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide
PubChem CID52897805
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name2-[3-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide
SMILESCNc1nc2c(s1)[C@H](c1cccc(OCC(N)=O)c1)CC(=O)N2
InChIInChI=1S/C15H16N4O3S/c1-17-15-19-14-13(23-15)10(6-12(21)18-14)8-3-2-4-9(5-8)22-7-11(16)20/h2-5,10H,6-7H2,1H3,(H2,16,20)(H,17,19)(H,18,21)/t10-/m0/s1
InChIKeyQARCYMNWFAIZMP-JTQLQIEISA-N
XLogP1.52
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide
CID 52900328
(7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52897828
(7S)-7-[3-[(2-chlorophenyl)methoxy]phenyl]-2-(ethylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51689157
(7R)-2-(ethylamino)-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 26435872
2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide
CID 135637602
(7R)-7-(2,6-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52897599
2-(methylamino)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51138370
2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide
CID 171386518
7-(2-methoxyphenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51053120
(7R)-2-anilino-7-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 26435794
(7R)-7-(2,3-dimethoxyphenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52897516
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-[3-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide?
The IUPAC name of 2-[3-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide (CID 52897805) is 2-[3-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide is CNc1nc2c(s1)[C@H](c1cccc(OCC(N)=O)c1)CC(=O)N2.
What is the InChIKey of 2-[3-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide?
The InChIKey is QARCYMNWFAIZMP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-17-15-19-14-13(23-15)10(6-12(21)18-14)8-3-2-4-9(5-8)22-7-11(16)20/h2-5,10H,6-7H2,1H3,(H2,16,20)(H,17,19)(H,18,21)/t10-/m0/s1.
What are the key properties of 2-[3-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide?
2-[3-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide has a molecular weight of 332.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide is sourced from PubChem (CID 52897805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).