5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole

C8H11N3O3S — CID 102771875

IUPAC5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole
SMILESO=[N+]([O-])c1cnc(O[C@H]2CCCNC2)s1
InChIInChI=1S/C8H11N3O3S/c12-11(13)7-5-10-8(15-7)14-6-2-1-3-9-4-6/h5-6,9H,1-4H2/t6-/m0/s1
InChIKeyGAUQABCZSRMKOE-LURJTMIESA-N
MW229.26 g/mol
LogP1.18
Rot. Bonds3

About 5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole

5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole (PubChem CID 102771875) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole
PubChem CID102771875
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole
SMILESO=[N+]([O-])c1cnc(O[C@H]2CCCNC2)s1
InChIInChI=1S/C8H11N3O3S/c12-11(13)7-5-10-8(15-7)14-6-2-1-3-9-4-6/h5-6,9H,1-4H2/t6-/m0/s1
InChIKeyGAUQABCZSRMKOE-LURJTMIESA-N
XLogP1.18
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-chloro-5-nitro-2-piperidin-3-yloxypyridine
CID 114046940
3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine
CID 79523632
3-bromo-4-methyl-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine
CID 113420700
3-bromo-4-methyl-5-nitro-2-piperidin-3-yloxypyridine
CID 104508427
5-nitro-4-[(3S)-piperidin-3-yl]oxy-2-(trifluoromethyl)pyridine
CID 106750141
4-nitro-5-[(3S)-piperidin-3-yl]oxy-1,3-benzothiazole
CID 66245627
5-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 106643102
6-methoxy-3-nitro-2-piperidin-3-yloxypyridine
CID 115323414
3-(3-methyl-5-nitrophenoxy)piperidine
CID 112649701
5-nitro-6-[(3S)-piperidin-3-yl]oxyimidazo[2,1-b][1,3]thiazole
CID 66247993
5-nitro-6-[(3S)-piperidin-3-yl]oxyquinoline
CID 66247196
(3S)-3-(3-chloro-2-nitrophenoxy)piperidine
CID 104839566

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole?
The IUPAC name of 5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole (CID 102771875) is 5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole.
What is the SMILES notation for 5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole?
The canonical SMILES for 5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole is O=[N+]([O-])c1cnc(O[C@H]2CCCNC2)s1.
What is the InChIKey of 5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole?
The InChIKey is GAUQABCZSRMKOE-LURJTMIESA-N. The full InChI is InChI=1S/C8H11N3O3S/c12-11(13)7-5-10-8(15-7)14-6-2-1-3-9-4-6/h5-6,9H,1-4H2/t6-/m0/s1.
What are the key properties of 5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole?
5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole has a molecular weight of 229.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole is sourced from PubChem (CID 102771875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).