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

C13H11Cl2N3OS — CID 52897599

IUPAC(7R)-7-(2,6-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCNc1nc2c(s1)[C@@H](c1c(Cl)cccc1Cl)CC(=O)N2
InChIInChI=1S/C13H11Cl2N3OS/c1-16-13-18-12-11(20-13)6(5-9(19)17-12)10-7(14)3-2-4-8(10)15/h2-4,6H,5H2,1H3,(H,16,18)(H,17,19)/t6-/m1/s1
InChIKeySBTJFNYPCIJVAV-ZCFIWIBFSA-N
MW328.22 g/mol
LogP3.97
Rot. Bonds2

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

(7R)-7-(2,6-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 52897599) has the molecular formula C13H11Cl2N3OS and a molecular weight of 328.22 g/mol. Its IUPAC name is (7R)-7-(2,6-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-(2,6-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID52897599
Molecular FormulaC13H11Cl2N3OS
Molecular Weight328.22 g/mol
Exact Mass327.00
IUPAC Name(7R)-7-(2,6-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCNc1nc2c(s1)[C@@H](c1c(Cl)cccc1Cl)CC(=O)N2
InChIInChI=1S/C13H11Cl2N3OS/c1-16-13-18-12-11(20-13)6(5-9(19)17-12)10-7(14)3-2-4-8(10)15/h2-4,6H,5H2,1H3,(H,16,18)(H,17,19)/t6-/m1/s1
InChIKeySBTJFNYPCIJVAV-ZCFIWIBFSA-N
XLogP3.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7R)-7-(2,6-dichlorophenyl)-2-(methylamino)-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

(7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52897828
(7R)-7-(2-bromophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52901735
7-(2-methoxyphenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51053120
(7R)-7-(2,3-dimethoxyphenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52897516
(7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42590691
(7S)-7-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 95167204
2-(methylamino)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51138370
2-[3-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide
CID 52897805
(7R)-7-(3-methoxy-2-phenylmethoxyphenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52899399
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)-2-amino-7-(2,3-dichlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39336852
(7S)-7-[2-[(3-fluorophenyl)methoxy]phenyl]-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52901833

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2,6-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of (7R)-7-(2,6-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 52897599) is (7R)-7-(2,6-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-(2,6-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for (7R)-7-(2,6-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is CNc1nc2c(s1)[C@@H](c1c(Cl)cccc1Cl)CC(=O)N2.
What is the InChIKey of (7R)-7-(2,6-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is SBTJFNYPCIJVAV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C13H11Cl2N3OS/c1-16-13-18-12-11(20-13)6(5-9(19)17-12)10-7(14)3-2-4-8(10)15/h2-4,6H,5H2,1H3,(H,16,18)(H,17,19)/t6-/m1/s1.
What are the key properties of (7R)-7-(2,6-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
(7R)-7-(2,6-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 328.22 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2,6-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 52897599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).