N-cycloheptyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

C12H16N4O2S — CID 16780199

IUPACN-cycloheptyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NC2CCCCCC2)nc2sccn12
InChIInChI=1S/C12H16N4O2S/c17-16(18)11-10(14-12-15(11)7-8-19-12)13-9-5-3-1-2-4-6-9/h7-9,13H,1-6H2
InChIKeyREXCWSIHKCGTHM-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.44
Rot. Bonds3

About N-cycloheptyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

N-cycloheptyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 16780199) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-cycloheptyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-cycloheptyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID16780199
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-cycloheptyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NC2CCCCCC2)nc2sccn12
InChIInChI=1S/C12H16N4O2S/c17-16(18)11-10(14-12-15(11)7-8-19-12)13-9-5-3-1-2-4-6-9/h7-9,13H,1-6H2
InChIKeyREXCWSIHKCGTHM-UHFFFAOYSA-N
XLogP3.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-cycloheptyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 16780199) is N-cycloheptyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-cycloheptyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-cycloheptyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NC2CCCCCC2)nc2sccn12.
What is the InChIKey of N-cycloheptyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is REXCWSIHKCGTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c17-16(18)11-10(14-12-15(11)7-8-19-12)13-9-5-3-1-2-4-6-9/h7-9,13H,1-6H2.
What are the key properties of N-cycloheptyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-cycloheptyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 280.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 16780199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).