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

C12H16N4O2S — CID 16780718

IUPACN-(4-methylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1
InChIInChI=1S/C12H16N4O2S/c1-8-2-4-9(5-3-8)13-10-11(16(17)18)15-6-7-19-12(15)14-10/h6-9,13H,2-5H2,1H3
InChIKeyBBNLOTZXIMVKQT-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.29
Rot. Bonds3

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

N-(4-methylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 16780718) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID16780718
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-(4-methylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1
InChIInChI=1S/C12H16N4O2S/c1-8-2-4-9(5-3-8)13-10-11(16(17)18)15-6-7-19-12(15)14-10/h6-9,13H,2-5H2,1H3
InChIKeyBBNLOTZXIMVKQT-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
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-(4-methylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-(4-methylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 16780718) is N-(4-methylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-(4-methylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-(4-methylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is CC1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is BBNLOTZXIMVKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-8-2-4-9(5-3-8)13-10-11(16(17)18)15-6-7-19-12(15)14-10/h6-9,13H,2-5H2,1H3.
What are the key properties of N-(4-methylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-(4-methylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 280.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 16780718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).