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

C16H16FN5O2S — CID 133411813

IUPACN-[1-(2-fluorophenyl)piperidin-3-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NC2CCCN(c3ccccc3F)C2)nc2sccn12
InChIInChI=1S/C16H16FN5O2S/c17-12-5-1-2-6-13(12)20-7-3-4-11(10-20)18-14-15(22(23)24)21-8-9-25-16(21)19-14/h1-2,5-6,8-9,11,18H,3-4,7,10H2
InChIKeyBHCYOGBYZBDAJB-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.52
Rot. Bonds4

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

N-[1-(2-fluorophenyl)piperidin-3-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 133411813) has the molecular formula C16H16FN5O2S and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)piperidin-3-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)piperidin-3-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID133411813
Molecular FormulaC16H16FN5O2S
Molecular Weight361.40 g/mol
Exact Mass361.10
IUPAC NameN-[1-(2-fluorophenyl)piperidin-3-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NC2CCCN(c3ccccc3F)C2)nc2sccn12
InChIInChI=1S/C16H16FN5O2S/c17-12-5-1-2-6-13(12)20-7-3-4-11(10-20)18-14-15(22(23)24)21-8-9-25-16(21)19-14/h1-2,5-6,8-9,11,18H,3-4,7,10H2
InChIKeyBHCYOGBYZBDAJB-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-[1-(2-fluorophenyl)piperidin-3-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-[1-(2-fluorophenyl)piperidin-3-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 133411813) is N-[1-(2-fluorophenyl)piperidin-3-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)piperidin-3-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)piperidin-3-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NC2CCCN(c3ccccc3F)C2)nc2sccn12.
What is the InChIKey of N-[1-(2-fluorophenyl)piperidin-3-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is BHCYOGBYZBDAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2S/c17-12-5-1-2-6-13(12)20-7-3-4-11(10-20)18-14-15(22(23)24)21-8-9-25-16(21)19-14/h1-2,5-6,8-9,11,18H,3-4,7,10H2.
What are the key properties of N-[1-(2-fluorophenyl)piperidin-3-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-[1-(2-fluorophenyl)piperidin-3-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-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-[1-(2-fluorophenyl)piperidin-3-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 133411813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).