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

C14H16N6O2S — CID 175910835

IUPAC5-[(3R)-3-methylmorpholin-4-yl]-7-(4-methyltriazol-1-yl)-[1,2]thiazolo[4,5-b]pyridin-3-one
SMILESCc1cn(-c2cc(N3CCOC[C@H]3C)nc3c(=O)[nH]sc23)nn1
InChIInChI=1S/C14H16N6O2S/c1-8-6-20(18-16-8)10-5-11(19-3-4-22-7-9(19)2)15-12-13(10)23-17-14(12)21/h5-6,9H,3-4,7H2,1-2H3,(H,17,21)/t9-/m1/s1
InChIKeyIRMZSYHFKNHZAA-SECBINFHSA-N
MW332.39 g/mol
LogP1.10
Rot. Bonds2

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

5-[(3R)-3-methylmorpholin-4-yl]-7-(4-methyltriazol-1-yl)-[1,2]thiazolo[4,5-b]pyridin-3-one (PubChem CID 175910835) has the molecular formula C14H16N6O2S and a molecular weight of 332.39 g/mol. Its IUPAC name is 5-[(3R)-3-methylmorpholin-4-yl]-7-(4-methyltriazol-1-yl)-[1,2]thiazolo[4,5-b]pyridin-3-one.

Molecular Properties

Compound Name5-[(3R)-3-methylmorpholin-4-yl]-7-(4-methyltriazol-1-yl)-[1,2]thiazolo[4,5-b]pyridin-3-one
PubChem CID175910835
Molecular FormulaC14H16N6O2S
Molecular Weight332.39 g/mol
Exact Mass332.11
IUPAC Name5-[(3R)-3-methylmorpholin-4-yl]-7-(4-methyltriazol-1-yl)-[1,2]thiazolo[4,5-b]pyridin-3-one
SMILESCc1cn(-c2cc(N3CCOC[C@H]3C)nc3c(=O)[nH]sc23)nn1
InChIInChI=1S/C14H16N6O2S/c1-8-6-20(18-16-8)10-5-11(19-3-4-22-7-9(19)2)15-12-13(10)23-17-14(12)21/h5-6,9H,3-4,7H2,1-2H3,(H,17,21)/t9-/m1/s1
InChIKeyIRMZSYHFKNHZAA-SECBINFHSA-N
XLogP1.10
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-(2-aminophenyl)-5-[(3R)-3-methylmorpholin-4-yl]-[1,2]thiazolo[4,5-b]pyridin-3-one
CID 170224474
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
(3R)-3-methyl-4-[3-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-7-(1,2,4-triazol-1-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]morpholine
CID 175910801
(3R)-4-[7-(3,5-dimethyltriazol-4-yl)-3-(5-methylpyrazolidin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
CID 169429009
(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037
(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-[3-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-7-morpholin-4-yl-[1,2]thiazolo[4,5-b]pyridin-5-yl]morpholine
CID 175910796
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
(7R)-7-(1-methylcyclopropyl)-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163276691
2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide
CID 166756249
N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
CID 146533977

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-methylmorpholin-4-yl]-7-(4-methyltriazol-1-yl)-[1,2]thiazolo[4,5-b]pyridin-3-one?
The IUPAC name of 5-[(3R)-3-methylmorpholin-4-yl]-7-(4-methyltriazol-1-yl)-[1,2]thiazolo[4,5-b]pyridin-3-one (CID 175910835) is 5-[(3R)-3-methylmorpholin-4-yl]-7-(4-methyltriazol-1-yl)-[1,2]thiazolo[4,5-b]pyridin-3-one.
What is the SMILES notation for 5-[(3R)-3-methylmorpholin-4-yl]-7-(4-methyltriazol-1-yl)-[1,2]thiazolo[4,5-b]pyridin-3-one?
The canonical SMILES for 5-[(3R)-3-methylmorpholin-4-yl]-7-(4-methyltriazol-1-yl)-[1,2]thiazolo[4,5-b]pyridin-3-one is Cc1cn(-c2cc(N3CCOC[C@H]3C)nc3c(=O)[nH]sc23)nn1.
What is the InChIKey of 5-[(3R)-3-methylmorpholin-4-yl]-7-(4-methyltriazol-1-yl)-[1,2]thiazolo[4,5-b]pyridin-3-one?
The InChIKey is IRMZSYHFKNHZAA-SECBINFHSA-N. The full InChI is InChI=1S/C14H16N6O2S/c1-8-6-20(18-16-8)10-5-11(19-3-4-22-7-9(19)2)15-12-13(10)23-17-14(12)21/h5-6,9H,3-4,7H2,1-2H3,(H,17,21)/t9-/m1/s1.
What are the key properties of 5-[(3R)-3-methylmorpholin-4-yl]-7-(4-methyltriazol-1-yl)-[1,2]thiazolo[4,5-b]pyridin-3-one?
5-[(3R)-3-methylmorpholin-4-yl]-7-(4-methyltriazol-1-yl)-[1,2]thiazolo[4,5-b]pyridin-3-one has a molecular weight of 332.39 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-methylmorpholin-4-yl]-7-(4-methyltriazol-1-yl)-[1,2]thiazolo[4,5-b]pyridin-3-one is sourced from PubChem (CID 175910835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).