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

C20H25N3O4S — CID 51720534

IUPAC(7S)-2-piperidin-1-yl-7-(2,3,4-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1ccc([C@@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)c(OC)c1OC
InChIInChI=1S/C20H25N3O4S/c1-25-14-8-7-12(16(26-2)17(14)27-3)13-11-15(24)21-19-18(13)28-20(22-19)23-9-5-4-6-10-23/h7-8,13H,4-6,9-11H2,1-3H3,(H,21,24)/t13-/m0/s1
InChIKeyQLIWXIAQWGJNTF-ZDUSSCGKSA-N
MW403.50 g/mol
LogP3.63
Rot. Bonds5

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

(7S)-2-piperidin-1-yl-7-(2,3,4-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 51720534) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is (7S)-2-piperidin-1-yl-7-(2,3,4-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-2-piperidin-1-yl-7-(2,3,4-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID51720534
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name(7S)-2-piperidin-1-yl-7-(2,3,4-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1ccc([C@@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)c(OC)c1OC
InChIInChI=1S/C20H25N3O4S/c1-25-14-8-7-12(16(26-2)17(14)27-3)13-11-15(24)21-19-18(13)28-20(22-19)23-9-5-4-6-10-23/h7-8,13H,4-6,9-11H2,1-3H3,(H,21,24)/t13-/m0/s1
InChIKeyQLIWXIAQWGJNTF-ZDUSSCGKSA-N
XLogP3.63
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7S)-2-piperidin-1-yl-7-(2,3,4-trimethoxyphenyl)-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

2-[2-methoxy-5-[(7S)-5-oxo-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide
CID 51721981
(7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42556453
(7R)-7-(2,3-dimethoxyphenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52897516
(7R)-7-(3-hydroxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51717907
(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
(7S)-7-(2-chlorophenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51719782
7-[4-methoxy-3-(2-methylpropoxy)phenyl]-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 45492136
(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
1-propan-2-yl-4-(2,3,4-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632705
(4R)-1-propan-2-yl-4-(2,3,4-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887397
2-phenyl-5-(2,3,4-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135652236

Frequently Asked Questions

What is the IUPAC name of (7S)-2-piperidin-1-yl-7-(2,3,4-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of (7S)-2-piperidin-1-yl-7-(2,3,4-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 51720534) is (7S)-2-piperidin-1-yl-7-(2,3,4-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7S)-2-piperidin-1-yl-7-(2,3,4-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for (7S)-2-piperidin-1-yl-7-(2,3,4-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is COc1ccc([C@@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)c(OC)c1OC.
What is the InChIKey of (7S)-2-piperidin-1-yl-7-(2,3,4-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is QLIWXIAQWGJNTF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-25-14-8-7-12(16(26-2)17(14)27-3)13-11-15(24)21-19-18(13)28-20(22-19)23-9-5-4-6-10-23/h7-8,13H,4-6,9-11H2,1-3H3,(H,21,24)/t13-/m0/s1.
What are the key properties of (7S)-2-piperidin-1-yl-7-(2,3,4-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
(7S)-2-piperidin-1-yl-7-(2,3,4-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 403.50 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-piperidin-1-yl-7-(2,3,4-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51720534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).