5-nitro-6-piperidin-1-ylimidazo[2,1-b][1,3]thiazole

C10H12N4O2S — CID 4203866

IUPAC5-nitro-6-piperidin-1-ylimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(N2CCCCC2)nc2sccn12
InChIInChI=1S/C10H12N4O2S/c15-14(16)9-8(12-4-2-1-3-5-12)11-10-13(9)6-7-17-10/h6-7H,1-5H2
InChIKeyLNIIWJLKSAWSTA-UHFFFAOYSA-N
MW252.30 g/mol
LogP2.29
Rot. Bonds2

About 5-nitro-6-piperidin-1-ylimidazo[2,1-b][1,3]thiazole

5-nitro-6-piperidin-1-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 4203866) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 5-nitro-6-piperidin-1-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-nitro-6-piperidin-1-ylimidazo[2,1-b][1,3]thiazole
PubChem CID4203866
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name5-nitro-6-piperidin-1-ylimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(N2CCCCC2)nc2sccn12
InChIInChI=1S/C10H12N4O2S/c15-14(16)9-8(12-4-2-1-3-5-12)11-10-13(9)6-7-17-10/h6-7H,1-5H2
InChIKeyLNIIWJLKSAWSTA-UHFFFAOYSA-N
XLogP2.29
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
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

6-Chloro-5-nitroimidazo[2,1-b][1,3]thiazole
CID 301408
Nitroimidazo(2,1-b)thiazole
CID 129664719
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 38773017
5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43471138
5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 55175332
5-nitro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 79040115
N-(2,2-difluoroethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 79099277
N'-(2,2-difluoroethyl)-N'-ethyl-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine
CID 86819420
5-nitro-N-(4,4,4-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 104854461
5-nitro-N-[1-(trifluoromethyl)cyclopropyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 106214918
5-nitro-N-(2,2,3,3-tetrafluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 106293559
2,2-difluoro-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,3-diamine
CID 114384415

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-piperidin-1-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-nitro-6-piperidin-1-ylimidazo[2,1-b][1,3]thiazole (CID 4203866) is 5-nitro-6-piperidin-1-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-nitro-6-piperidin-1-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-nitro-6-piperidin-1-ylimidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1c(N2CCCCC2)nc2sccn12.
What is the InChIKey of 5-nitro-6-piperidin-1-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is LNIIWJLKSAWSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c15-14(16)9-8(12-4-2-1-3-5-12)11-10-13(9)6-7-17-10/h6-7H,1-5H2.
What are the key properties of 5-nitro-6-piperidin-1-ylimidazo[2,1-b][1,3]thiazole?
5-nitro-6-piperidin-1-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 252.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-piperidin-1-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 4203866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).