2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine

C11H15N5O2S — CID 115313596

IUPAC2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine
SMILESCC1CC(N)CCN1c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H15N5O2S/c1-7-6-8(12)2-3-14(7)9-10(16(17)18)15-4-5-19-11(15)13-9/h4-5,7-8H,2-3,6,12H2,1H3
InChIKeyVJLLXLQQRSYGCZ-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.62
Rot. Bonds2

About 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine

2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine (PubChem CID 115313596) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine
PubChem CID115313596
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine
SMILESCC1CC(N)CCN1c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H15N5O2S/c1-7-6-8(12)2-3-14(7)9-10(16(17)18)15-4-5-19-11(15)13-9/h4-5,7-8H,2-3,6,12H2,1H3
InChIKeyVJLLXLQQRSYGCZ-UHFFFAOYSA-N
XLogP1.62
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.62
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

8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61235392
1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidine-4-carboxamide
CID 40724852
6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 94438283
8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63770462
N-[[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]methyl]ethanamine
CID 80546147
tert-butyl N-[[3-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-2-yl]methyl]carbamate
CID 133397126
2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol
CID 115657955
ethyl 1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidine-4-carboxylate
CID 51245763
4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol
CID 80702476
(3R)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-ol
CID 40725285
2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-3-yl]acetamide
CID 133355900
6-[2-(furan-2-yl)azepan-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 75524480

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine?
The IUPAC name of 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine (CID 115313596) is 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine.
What is the SMILES notation for 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine?
The canonical SMILES for 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine is CC1CC(N)CCN1c1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine?
The InChIKey is VJLLXLQQRSYGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-7-6-8(12)2-3-14(7)9-10(16(17)18)15-4-5-19-11(15)13-9/h4-5,7-8H,2-3,6,12H2,1H3.
What are the key properties of 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine?
2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine has a molecular weight of 281.34 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine is sourced from PubChem (CID 115313596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).