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

C13H18N4O2S — CID 16779920

IUPACN-(2,3-dimethylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC1CCCC(Nc2nc3sccn3c2[N+](=O)[O-])C1C
InChIInChI=1S/C13H18N4O2S/c1-8-4-3-5-10(9(8)2)14-11-12(17(18)19)16-6-7-20-13(16)15-11/h6-10,14H,3-5H2,1-2H3
InChIKeyOWVNYJHYMHFLFE-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.54
Rot. Bonds3

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

N-(2,3-dimethylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 16779920) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID16779920
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(2,3-dimethylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC1CCCC(Nc2nc3sccn3c2[N+](=O)[O-])C1C
InChIInChI=1S/C13H18N4O2S/c1-8-4-3-5-10(9(8)2)14-11-12(17(18)19)16-6-7-20-13(16)15-11/h6-10,14H,3-5H2,1-2H3
InChIKeyOWVNYJHYMHFLFE-UHFFFAOYSA-N
XLogP3.54
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.54
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-(2,3-dimethylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 16779920) is N-(2,3-dimethylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is CC1CCCC(Nc2nc3sccn3c2[N+](=O)[O-])C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is OWVNYJHYMHFLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-8-4-3-5-10(9(8)2)14-11-12(17(18)19)16-6-7-20-13(16)15-11/h6-10,14H,3-5H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-(2,3-dimethylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 294.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 16779920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).