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

C12H11N3O2S — CID 39334445

IUPAC(7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESNc1nc2c(s1)[C@H](c1cccc(O)c1)CC(=O)N2
InChIInChI=1S/C12H11N3O2S/c13-12-15-11-10(18-12)8(5-9(17)14-11)6-2-1-3-7(16)4-6/h1-4,8,16H,5H2,(H2,13,15)(H,14,17)/t8-/m0/s1
InChIKeyJAOPHXIMISIPPG-QMMMGPOBSA-N
MW261.31 g/mol
LogP1.90
Rot. Bonds1

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

(7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 39334445) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is (7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID39334445
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name(7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESNc1nc2c(s1)[C@H](c1cccc(O)c1)CC(=O)N2
InChIInChI=1S/C12H11N3O2S/c13-12-15-11-10(18-12)8(5-9(17)14-11)6-2-1-3-7(16)4-6/h1-4,8,16H,5H2,(H2,13,15)(H,14,17)/t8-/m0/s1
InChIKeyJAOPHXIMISIPPG-QMMMGPOBSA-N
XLogP1.90
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one with MolForge

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Related Compounds

(7R)-7-(3-hydroxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51717907
(7R)-2-(ethylamino)-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 26435872
(7R)-2-amino-7-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39340520
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-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42591026
(7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 26342138
(7R)-2-amino-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42591025
(7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42558595
(7R)-2-amino-7-(2,3-dichlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39336852
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
(7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42590691

Frequently Asked Questions

What is the IUPAC name of (7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of (7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 39334445) is (7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for (7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is Nc1nc2c(s1)[C@H](c1cccc(O)c1)CC(=O)N2.
What is the InChIKey of (7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is JAOPHXIMISIPPG-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H11N3O2S/c13-12-15-11-10(18-12)8(5-9(17)14-11)6-2-1-3-7(16)4-6/h1-4,8,16H,5H2,(H2,13,15)(H,14,17)/t8-/m0/s1.
What are the key properties of (7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
(7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 261.31 g/mol, XLogP of 1.90, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 39334445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).