4-[5-[(3S)-3-fluoropiperidin-1-yl]-6-nitro-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine

C15H18FN5O3S — CID 122699834

IUPAC4-[5-[(3S)-3-fluoropiperidin-1-yl]-6-nitro-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine
SMILESO=[N+]([O-])c1cc2sc(N3CCOCC3)nc2nc1N1CCC[C@H](F)C1
InChIInChI=1S/C15H18FN5O3S/c16-10-2-1-3-20(9-10)14-11(21(22)23)8-12-13(17-14)18-15(25-12)19-4-6-24-7-5-19/h8,10H,1-7,9H2/t10-/m0/s1
InChIKeyMWAVAADEVDFXGJ-JTQLQIEISA-N
MW367.41 g/mol
LogP2.37
Rot. Bonds3

About 4-[5-[(3S)-3-fluoropiperidin-1-yl]-6-nitro-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine

4-[5-[(3S)-3-fluoropiperidin-1-yl]-6-nitro-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine (PubChem CID 122699834) has the molecular formula C15H18FN5O3S and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[5-[(3S)-3-fluoropiperidin-1-yl]-6-nitro-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[(3S)-3-fluoropiperidin-1-yl]-6-nitro-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine
PubChem CID122699834
Molecular FormulaC15H18FN5O3S
Molecular Weight367.41 g/mol
Exact Mass367.11
IUPAC Name4-[5-[(3S)-3-fluoropiperidin-1-yl]-6-nitro-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine
SMILESO=[N+]([O-])c1cc2sc(N3CCOCC3)nc2nc1N1CCC[C@H](F)C1
InChIInChI=1S/C15H18FN5O3S/c16-10-2-1-3-20(9-10)14-11(21(22)23)8-12-13(17-14)18-15(25-12)19-4-6-24-7-5-19/h8,10H,1-7,9H2/t10-/m0/s1
InChIKeyMWAVAADEVDFXGJ-JTQLQIEISA-N
XLogP2.37
TPSA84.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate
CID 140804152
(2S)-2-(3-aminopyrrolidin-1-yl)-3-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide
CID 155384776
2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine
CID 118224190
6-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
CID 135239356
2-(3-ethylpyrrolidin-1-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide
CID 123882569
5-nitro-6-(1,4-oxazepan-4-yl)pyridine-2-carboxylic acid
CID 114404068
2-[(3R)-3-fluoropyrrolidin-1-yl]-6-(methylamino)-5-nitropyridine-3-carboxylic acid
CID 71099589
4-hydroxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-nitrobenzenesulfonamide
CID 39770439
4-(3,5-dinitro-2-pyridinyl)morpholine
CID 2847997
4-[8-(4-nitrophenyl)-6-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7-tetraen-5-yl]morpholine
CID 101494794
[(3S)-1-[6-[(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)carbamoyl]-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 118224271
tert-butyl N-[(3R)-1-(2-morpholin-4-yl-6-nitro-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate
CID 140804142

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3S)-3-fluoropiperidin-1-yl]-6-nitro-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine?
The IUPAC name of 4-[5-[(3S)-3-fluoropiperidin-1-yl]-6-nitro-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine (CID 122699834) is 4-[5-[(3S)-3-fluoropiperidin-1-yl]-6-nitro-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine.
What is the SMILES notation for 4-[5-[(3S)-3-fluoropiperidin-1-yl]-6-nitro-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine?
The canonical SMILES for 4-[5-[(3S)-3-fluoropiperidin-1-yl]-6-nitro-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine is O=[N+]([O-])c1cc2sc(N3CCOCC3)nc2nc1N1CCC[C@H](F)C1.
What is the InChIKey of 4-[5-[(3S)-3-fluoropiperidin-1-yl]-6-nitro-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine?
The InChIKey is MWAVAADEVDFXGJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18FN5O3S/c16-10-2-1-3-20(9-10)14-11(21(22)23)8-12-13(17-14)18-15(25-12)19-4-6-24-7-5-19/h8,10H,1-7,9H2/t10-/m0/s1.
What are the key properties of 4-[5-[(3S)-3-fluoropiperidin-1-yl]-6-nitro-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine?
4-[5-[(3S)-3-fluoropiperidin-1-yl]-6-nitro-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine has a molecular weight of 367.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3S)-3-fluoropiperidin-1-yl]-6-nitro-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine is sourced from PubChem (CID 122699834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).