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

C16H16FN5O2S — CID 133330789

IUPACN-(2-fluorophenyl)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine
SMILESO=[N+]([O-])c1c(N2CCC(Nc3ccccc3F)CC2)nc2sccn12
InChIInChI=1S/C16H16FN5O2S/c17-12-3-1-2-4-13(12)18-11-5-7-20(8-6-11)14-15(22(23)24)21-9-10-25-16(21)19-14/h1-4,9-11,18H,5-8H2
InChIKeyYAMVSYRPPDKXCE-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.52
Rot. Bonds4

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

N-(2-fluorophenyl)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine (PubChem CID 133330789) has the molecular formula C16H16FN5O2S and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine
PubChem CID133330789
Molecular FormulaC16H16FN5O2S
Molecular Weight361.40 g/mol
Exact Mass361.10
IUPAC NameN-(2-fluorophenyl)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine
SMILESO=[N+]([O-])c1c(N2CCC(Nc3ccccc3F)CC2)nc2sccn12
InChIInChI=1S/C16H16FN5O2S/c17-12-3-1-2-4-13(12)18-11-5-7-20(8-6-11)14-15(22(23)24)21-9-10-25-16(21)19-14/h1-4,9-11,18H,5-8H2
InChIKeyYAMVSYRPPDKXCE-UHFFFAOYSA-N
XLogP3.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine?
The IUPAC name of N-(2-fluorophenyl)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine (CID 133330789) is N-(2-fluorophenyl)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine.
What is the SMILES notation for N-(2-fluorophenyl)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine?
The canonical SMILES for N-(2-fluorophenyl)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine is O=[N+]([O-])c1c(N2CCC(Nc3ccccc3F)CC2)nc2sccn12.
What is the InChIKey of N-(2-fluorophenyl)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine?
The InChIKey is YAMVSYRPPDKXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2S/c17-12-3-1-2-4-13(12)18-11-5-7-20(8-6-11)14-15(22(23)24)21-9-10-25-16(21)19-14/h1-4,9-11,18H,5-8H2.
What are the key properties of N-(2-fluorophenyl)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine?
N-(2-fluorophenyl)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine has a molecular weight of 361.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine is sourced from PubChem (CID 133330789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).