6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole

C15H17N7O2S — CID 133422956

IUPAC6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(N2CCCC(c3nncn3C3CC3)C2)nc2sccn12
InChIInChI=1S/C15H17N7O2S/c23-22(24)14-13(17-15-20(14)6-7-25-15)19-5-1-2-10(8-19)12-18-16-9-21(12)11-3-4-11/h6-7,9-11H,1-5,8H2
InChIKeyKMYVWKUOKURTSF-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.61
Rot. Bonds4

About 6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole

6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole (PubChem CID 133422956) has the molecular formula C15H17N7O2S and a molecular weight of 359.42 g/mol. Its IUPAC name is 6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
PubChem CID133422956
Molecular FormulaC15H17N7O2S
Molecular Weight359.42 g/mol
Exact Mass359.12
IUPAC Name6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(N2CCCC(c3nncn3C3CC3)C2)nc2sccn12
InChIInChI=1S/C15H17N7O2S/c23-22(24)14-13(17-15-20(14)6-7-25-15)19-5-1-2-10(8-19)12-18-16-9-21(12)11-3-4-11/h6-7,9-11H,1-5,8H2
InChIKeyKMYVWKUOKURTSF-UHFFFAOYSA-N
XLogP2.61
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
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

(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
1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidine-4-carboxamide
CID 40724852
2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol
CID 115657955
1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49431524
cyclopropyl-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-diazepan-1-yl]methanone
CID 133498971
4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol
CID 80702476
cyclohexyl-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]methanone
CID 99251972
8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63770462
8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61235392
1-(2-chloro-4-nitrophenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine
CID 75397530
ethyl 2-[(3S)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-nitropyridine-4-carboxylate
CID 97158585

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole (CID 133422956) is 6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1c(N2CCCC(c3nncn3C3CC3)C2)nc2sccn12.
What is the InChIKey of 6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole?
The InChIKey is KMYVWKUOKURTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2S/c23-22(24)14-13(17-15-20(14)6-7-25-15)19-5-1-2-10(8-19)12-18-16-9-21(12)11-3-4-11/h6-7,9-11H,1-5,8H2.
What are the key properties of 6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole?
6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole has a molecular weight of 359.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 133422956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).