5-nitro-6-(piperidin-3-ylmethoxy)imidazo[2,1-b][1,3]thiazole

C11H14N4O3S — CID 62348590

IUPAC5-nitro-6-(piperidin-3-ylmethoxy)imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(OCC2CCCNC2)nc2sccn12
InChIInChI=1S/C11H14N4O3S/c16-15(17)10-9(13-11-14(10)4-5-19-11)18-7-8-2-1-3-12-6-8/h4-5,8,12H,1-3,6-7H2
InChIKeyFCIXEQCOEPXNHZ-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.68
Rot. Bonds4

About 5-nitro-6-(piperidin-3-ylmethoxy)imidazo[2,1-b][1,3]thiazole

5-nitro-6-(piperidin-3-ylmethoxy)imidazo[2,1-b][1,3]thiazole (PubChem CID 62348590) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-nitro-6-(piperidin-3-ylmethoxy)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-nitro-6-(piperidin-3-ylmethoxy)imidazo[2,1-b][1,3]thiazole
PubChem CID62348590
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name5-nitro-6-(piperidin-3-ylmethoxy)imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(OCC2CCCNC2)nc2sccn12
InChIInChI=1S/C11H14N4O3S/c16-15(17)10-9(13-11-14(10)4-5-19-11)18-7-8-2-1-3-12-6-8/h4-5,8,12H,1-3,6-7H2
InChIKeyFCIXEQCOEPXNHZ-UHFFFAOYSA-N
XLogP1.68
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-nitro-6-[(3S)-piperidin-3-yl]oxyimidazo[2,1-b][1,3]thiazole
CID 66247993
N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 43427706
N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine
CID 62348908
2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine
CID 64574504
5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine
CID 66277883
5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 17440442
6-nitro-4-(piperidin-3-ylmethoxy)quinazoline
CID 64587900
4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine
CID 79176367
2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone
CID 71645242
6-methyl-N-[(3R)-piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 66639497
N-[[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]methyl]ethanamine
CID 80546147
5-nitro-N-(2-piperazin-1-ylethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43600445

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(piperidin-3-ylmethoxy)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-nitro-6-(piperidin-3-ylmethoxy)imidazo[2,1-b][1,3]thiazole (CID 62348590) is 5-nitro-6-(piperidin-3-ylmethoxy)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-nitro-6-(piperidin-3-ylmethoxy)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-nitro-6-(piperidin-3-ylmethoxy)imidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1c(OCC2CCCNC2)nc2sccn12.
What is the InChIKey of 5-nitro-6-(piperidin-3-ylmethoxy)imidazo[2,1-b][1,3]thiazole?
The InChIKey is FCIXEQCOEPXNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c16-15(17)10-9(13-11-14(10)4-5-19-11)18-7-8-2-1-3-12-6-8/h4-5,8,12H,1-3,6-7H2.
What are the key properties of 5-nitro-6-(piperidin-3-ylmethoxy)imidazo[2,1-b][1,3]thiazole?
5-nitro-6-(piperidin-3-ylmethoxy)imidazo[2,1-b][1,3]thiazole has a molecular weight of 282.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(piperidin-3-ylmethoxy)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 62348590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).