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

C14H15N3O3S — CID 42556453

IUPAC(7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1cccc([C@H]2CC(=O)Nc3nc(N)sc32)c1OC
InChIInChI=1S/C14H15N3O3S/c1-19-9-5-3-4-7(11(9)20-2)8-6-10(18)16-13-12(8)21-14(15)17-13/h3-5,8H,6H2,1-2H3,(H2,15,17)(H,16,18)/t8-/m1/s1
InChIKeyAOHMSQUIYJCECI-MRVPVSSYSA-N
MW305.36 g/mol
LogP2.22
Rot. Bonds3

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

(7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 42556453) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is (7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID42556453
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name(7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1cccc([C@H]2CC(=O)Nc3nc(N)sc32)c1OC
InChIInChI=1S/C14H15N3O3S/c1-19-9-5-3-4-7(11(9)20-2)8-6-10(18)16-13-12(8)21-14(15)17-13/h3-5,8H,6H2,1-2H3,(H2,15,17)(H,16,18)/t8-/m1/s1
InChIKeyAOHMSQUIYJCECI-MRVPVSSYSA-N
XLogP2.22
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(7S)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42556463
(7R)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42556464
(7R)-2-amino-7-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42556477
(7R)-7-(2,3-dimethoxyphenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52897516
(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-cyclopentyloxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51721654
(7R)-2-amino-7-(2,3-dichlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39336852
(7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 26342138
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-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 16764638
7-(2-methoxyphenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51053120

Frequently Asked Questions

What is the IUPAC name of (7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of (7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 42556453) is (7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for (7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is COc1cccc([C@H]2CC(=O)Nc3nc(N)sc32)c1OC.
What is the InChIKey of (7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is AOHMSQUIYJCECI-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-19-9-5-3-4-7(11(9)20-2)8-6-10(18)16-13-12(8)21-14(15)17-13/h3-5,8H,6H2,1-2H3,(H2,15,17)(H,16,18)/t8-/m1/s1.
What are the key properties of (7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
(7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 305.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 42556453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).