6-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile

C16H15N7O2S — CID 133286798

IUPAC6-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Nc3nc4sccn4c3[N+](=O)[O-])CC2)nc1
InChIInChI=1S/C16H15N7O2S/c17-9-11-1-2-13(18-10-11)21-5-3-12(4-6-21)19-14-15(23(24)25)22-7-8-26-16(22)20-14/h1-2,7-8,10,12,19H,3-6H2
InChIKeyZPAHUEWGGLZQKR-UHFFFAOYSA-N
MW369.41 g/mol
LogP2.65
Rot. Bonds4

About 6-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 133286798) has the molecular formula C16H15N7O2S and a molecular weight of 369.41 g/mol. Its IUPAC name is 6-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID133286798
Molecular FormulaC16H15N7O2S
Molecular Weight369.41 g/mol
Exact Mass369.10
IUPAC Name6-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Nc3nc4sccn4c3[N+](=O)[O-])CC2)nc1
InChIInChI=1S/C16H15N7O2S/c17-9-11-1-2-13(18-10-11)21-5-3-12(4-6-21)19-14-15(23(24)25)22-7-8-26-16(22)20-14/h1-2,7-8,10,12,19H,3-6H2
InChIKeyZPAHUEWGGLZQKR-UHFFFAOYSA-N
XLogP2.65
TPSA112.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 113244170
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 61230649
6-[4-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133469882
6-[4-(4-bromo-2-nitroanilino)piperidin-1-yl]pyridine-3-carbonitrile
CID 133286740
6-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]pyridine-3-carbonitrile
CID 133286761
6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133271157
trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol
CID 94415218
6-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286801
6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 133286840
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
N-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 18095496
4-fluoro-N-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]benzenesulfonamide
CID 55626403

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile (CID 133286798) is 6-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(Nc3nc4sccn4c3[N+](=O)[O-])CC2)nc1.
What is the InChIKey of 6-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ZPAHUEWGGLZQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2S/c17-9-11-1-2-13(18-10-11)21-5-3-12(4-6-21)19-14-15(23(24)25)22-7-8-26-16(22)20-14/h1-2,7-8,10,12,19H,3-6H2.
What are the key properties of 6-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 369.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 133286798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).