7-(2-aminophenyl)-5-[(3R)-3-methylmorpholin-4-yl]-[1,2]thiazolo[4,5-b]pyridin-3-one

C17H18N4O2S — CID 170224474

IUPAC7-(2-aminophenyl)-5-[(3R)-3-methylmorpholin-4-yl]-[1,2]thiazolo[4,5-b]pyridin-3-one
SMILESC[C@@H]1COCCN1c1cc(-c2ccccc2N)c2s[nH]c(=O)c2n1
InChIInChI=1S/C17H18N4O2S/c1-10-9-23-7-6-21(10)14-8-12(11-4-2-3-5-13(11)18)16-15(19-14)17(22)20-24-16/h2-5,8,10H,6-7,9,18H2,1H3,(H,20,22)/t10-/m1/s1
InChIKeyXIKPBKKFDHYGBF-SNVBAGLBSA-N
MW342.42 g/mol
LogP2.46
Rot. Bonds2

About 7-(2-aminophenyl)-5-[(3R)-3-methylmorpholin-4-yl]-[1,2]thiazolo[4,5-b]pyridin-3-one

7-(2-aminophenyl)-5-[(3R)-3-methylmorpholin-4-yl]-[1,2]thiazolo[4,5-b]pyridin-3-one (PubChem CID 170224474) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 7-(2-aminophenyl)-5-[(3R)-3-methylmorpholin-4-yl]-[1,2]thiazolo[4,5-b]pyridin-3-one.

Molecular Properties

Compound Name7-(2-aminophenyl)-5-[(3R)-3-methylmorpholin-4-yl]-[1,2]thiazolo[4,5-b]pyridin-3-one
PubChem CID170224474
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name7-(2-aminophenyl)-5-[(3R)-3-methylmorpholin-4-yl]-[1,2]thiazolo[4,5-b]pyridin-3-one
SMILESC[C@@H]1COCCN1c1cc(-c2ccccc2N)c2s[nH]c(=O)c2n1
InChIInChI=1S/C17H18N4O2S/c1-10-9-23-7-6-21(10)14-8-12(11-4-2-3-5-13(11)18)16-15(19-14)17(22)20-24-16/h2-5,8,10H,6-7,9,18H2,1H3,(H,20,22)/t10-/m1/s1
InChIKeyXIKPBKKFDHYGBF-SNVBAGLBSA-N
XLogP2.46
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[(3R)-3-methylmorpholin-4-yl]-7-(4-methyltriazol-1-yl)-[1,2]thiazolo[4,5-b]pyridin-3-one
CID 175910835
6-(3-methylmorpholin-4-yl)pyridine-2,3-diamine
CID 79826016
6-(3-methylmorpholin-4-yl)pyridine-2-sulfonamide
CID 154940920
6-methyl-2-(3-methylmorpholin-4-yl)pyridin-3-amine
CID 81131826
3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine
CID 118869281
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406154
6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 94378498
2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80966887
2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide
CID 166756249
(3R)-3-methyl-4-[4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155439964
(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminophenyl)-5-[(3R)-3-methylmorpholin-4-yl]-[1,2]thiazolo[4,5-b]pyridin-3-one?
The IUPAC name of 7-(2-aminophenyl)-5-[(3R)-3-methylmorpholin-4-yl]-[1,2]thiazolo[4,5-b]pyridin-3-one (CID 170224474) is 7-(2-aminophenyl)-5-[(3R)-3-methylmorpholin-4-yl]-[1,2]thiazolo[4,5-b]pyridin-3-one.
What is the SMILES notation for 7-(2-aminophenyl)-5-[(3R)-3-methylmorpholin-4-yl]-[1,2]thiazolo[4,5-b]pyridin-3-one?
The canonical SMILES for 7-(2-aminophenyl)-5-[(3R)-3-methylmorpholin-4-yl]-[1,2]thiazolo[4,5-b]pyridin-3-one is C[C@@H]1COCCN1c1cc(-c2ccccc2N)c2s[nH]c(=O)c2n1.
What is the InChIKey of 7-(2-aminophenyl)-5-[(3R)-3-methylmorpholin-4-yl]-[1,2]thiazolo[4,5-b]pyridin-3-one?
The InChIKey is XIKPBKKFDHYGBF-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-10-9-23-7-6-21(10)14-8-12(11-4-2-3-5-13(11)18)16-15(19-14)17(22)20-24-16/h2-5,8,10H,6-7,9,18H2,1H3,(H,20,22)/t10-/m1/s1.
What are the key properties of 7-(2-aminophenyl)-5-[(3R)-3-methylmorpholin-4-yl]-[1,2]thiazolo[4,5-b]pyridin-3-one?
7-(2-aminophenyl)-5-[(3R)-3-methylmorpholin-4-yl]-[1,2]thiazolo[4,5-b]pyridin-3-one has a molecular weight of 342.42 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminophenyl)-5-[(3R)-3-methylmorpholin-4-yl]-[1,2]thiazolo[4,5-b]pyridin-3-one is sourced from PubChem (CID 170224474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).