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

C12H9F2N3OS — CID 39340520

IUPAC(7R)-2-amino-7-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESNc1nc2c(s1)[C@@H](c1ccc(F)c(F)c1)CC(=O)N2
InChIInChI=1S/C12H9F2N3OS/c13-7-2-1-5(3-8(7)14)6-4-9(18)16-11-10(6)19-12(15)17-11/h1-3,6H,4H2,(H2,15,17)(H,16,18)/t6-/m1/s1
InChIKeyHGGDYSUSQXHBEW-ZCFIWIBFSA-N
MW281.29 g/mol
LogP2.48
Rot. Bonds1

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

(7R)-2-amino-7-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 39340520) has the molecular formula C12H9F2N3OS and a molecular weight of 281.29 g/mol. Its IUPAC name is (7R)-2-amino-7-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-2-amino-7-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID39340520
Molecular FormulaC12H9F2N3OS
Molecular Weight281.29 g/mol
Exact Mass281.04
IUPAC Name(7R)-2-amino-7-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESNc1nc2c(s1)[C@@H](c1ccc(F)c(F)c1)CC(=O)N2
InChIInChI=1S/C12H9F2N3OS/c13-7-2-1-5(3-8(7)14)6-4-9(18)16-11-10(6)19-12(15)17-11/h1-3,6H,4H2,(H2,15,17)(H,16,18)/t6-/m1/s1
InChIKeyHGGDYSUSQXHBEW-ZCFIWIBFSA-N
XLogP2.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(7S)-2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42591026
(7R)-2-amino-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42591025
(7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39334445
(7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 26342138
2-amino-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 16764638
(7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42590691
(7S)-2-amino-7-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42587835
(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
(7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42558595
2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42654278
(7S)-2-amino-7-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39336811
2-amino-7-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42654149

Frequently Asked Questions

What is the IUPAC name of (7R)-2-amino-7-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of (7R)-2-amino-7-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 39340520) is (7R)-2-amino-7-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7R)-2-amino-7-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for (7R)-2-amino-7-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is Nc1nc2c(s1)[C@@H](c1ccc(F)c(F)c1)CC(=O)N2.
What is the InChIKey of (7R)-2-amino-7-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is HGGDYSUSQXHBEW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H9F2N3OS/c13-7-2-1-5(3-8(7)14)6-4-9(18)16-11-10(6)19-12(15)17-11/h1-3,6H,4H2,(H2,15,17)(H,16,18)/t6-/m1/s1.
What are the key properties of (7R)-2-amino-7-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
(7R)-2-amino-7-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 281.29 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-amino-7-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 39340520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).