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

C13H13N3O2S — CID 26342138

IUPAC(7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1ccc([C@@H]2CC(=O)Nc3nc(N)sc32)cc1
InChIInChI=1S/C13H13N3O2S/c1-18-8-4-2-7(3-5-8)9-6-10(17)15-12-11(9)19-13(14)16-12/h2-5,9H,6H2,1H3,(H2,14,16)(H,15,17)/t9-/m0/s1
InChIKeyMTKAVKQDKLACBN-VIFPVBQESA-N
MW275.33 g/mol
LogP2.21
Rot. Bonds2

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

(7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 26342138) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is (7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID26342138
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name(7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1ccc([C@@H]2CC(=O)Nc3nc(N)sc32)cc1
InChIInChI=1S/C13H13N3O2S/c1-18-8-4-2-7(3-5-8)9-6-10(17)15-12-11(9)19-13(14)16-12/h2-5,9H,6H2,1H3,(H2,14,16)(H,15,17)/t9-/m0/s1
InChIKeyMTKAVKQDKLACBN-VIFPVBQESA-N
XLogP2.21
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S)-2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42591026
2-amino-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 16764638
(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-[4-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42558816
(7R)-2-amino-7-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39340520
(7R)-2-amino-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42587081
(7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42556453
(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
(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-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42587835
2-amino-7-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42654149
(7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42558595

Frequently Asked Questions

What is the IUPAC name of (7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of (7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 26342138) is (7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for (7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is COc1ccc([C@@H]2CC(=O)Nc3nc(N)sc32)cc1.
What is the InChIKey of (7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is MTKAVKQDKLACBN-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-18-8-4-2-7(3-5-8)9-6-10(17)15-12-11(9)19-13(14)16-12/h2-5,9H,6H2,1H3,(H2,14,16)(H,15,17)/t9-/m0/s1.
What are the key properties of (7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
(7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 275.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 26342138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).