(7R)-2-anilino-7-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

C18H15N3OS — CID 26435794

IUPAC(7R)-2-anilino-7-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESO=C1C[C@H](c2ccccc2)c2sc(Nc3ccccc3)nc2N1
InChIInChI=1S/C18H15N3OS/c22-15-11-14(12-7-3-1-4-8-12)16-17(20-15)21-18(23-16)19-13-9-5-2-6-10-13/h1-10,14H,11H2,(H,19,21)(H,20,22)/t14-/m1/s1
InChIKeyLAINAZUYFAUXLK-CQSZACIVSA-N
MW321.41 g/mol
LogP4.36
Rot. Bonds3

About (7R)-2-anilino-7-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

(7R)-2-anilino-7-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 26435794) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is (7R)-2-anilino-7-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-2-anilino-7-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID26435794
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name(7R)-2-anilino-7-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESO=C1C[C@H](c2ccccc2)c2sc(Nc3ccccc3)nc2N1
InChIInChI=1S/C18H15N3OS/c22-15-11-14(12-7-3-1-4-8-12)16-17(20-15)21-18(23-16)19-13-9-5-2-6-10-13/h1-10,14H,11H2,(H,19,21)(H,20,22)/t14-/m1/s1
InChIKeyLAINAZUYFAUXLK-CQSZACIVSA-N
XLogP4.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7R)-2-anilino-7-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one with MolForge

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Related Compounds

2-anilino-7-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42647648
(7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52897828
(7R)-2-(ethylamino)-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 26435872
7-(2-methoxyphenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51053120
(7R)-7-(2-bromophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52901735
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-(2,6-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52897599
2-[3-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide
CID 52897805
(7S)-2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42591026
(7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559090
2-(methylamino)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51138370
(7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39334445

Frequently Asked Questions

What is the IUPAC name of (7R)-2-anilino-7-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of (7R)-2-anilino-7-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 26435794) is (7R)-2-anilino-7-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7R)-2-anilino-7-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for (7R)-2-anilino-7-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is O=C1C[C@H](c2ccccc2)c2sc(Nc3ccccc3)nc2N1.
What is the InChIKey of (7R)-2-anilino-7-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is LAINAZUYFAUXLK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H15N3OS/c22-15-11-14(12-7-3-1-4-8-12)16-17(20-15)21-18(23-16)19-13-9-5-2-6-10-13/h1-10,14H,11H2,(H,19,21)(H,20,22)/t14-/m1/s1.
What are the key properties of (7R)-2-anilino-7-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
(7R)-2-anilino-7-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 321.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-anilino-7-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 26435794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).