6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole

C16H23BrN2S — CID 115334166

IUPAC6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCC(C)(C)C1CCC(Br)C(Cc2cn3ccsc3n2)C1
InChIInChI=1S/C16H23BrN2S/c1-16(2,3)12-4-5-14(17)11(8-12)9-13-10-19-6-7-20-15(19)18-13/h6-7,10-12,14H,4-5,8-9H2,1-3H3
InChIKeyIURFGSXNPIKWCM-UHFFFAOYSA-N
MW355.35 g/mol
LogP5.16
Rot. Bonds2

About 6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole

6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 115334166) has the molecular formula C16H23BrN2S and a molecular weight of 355.35 g/mol. Its IUPAC name is 6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID115334166
Molecular FormulaC16H23BrN2S
Molecular Weight355.35 g/mol
Exact Mass354.08
IUPAC Name6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCC(C)(C)C1CCC(Br)C(Cc2cn3ccsc3n2)C1
InChIInChI=1S/C16H23BrN2S/c1-16(2,3)12-4-5-14(17)11(8-12)9-13-10-19-6-7-20-15(19)18-13/h6-7,10-12,14H,4-5,8-9H2,1-3H3
InChIKeyIURFGSXNPIKWCM-UHFFFAOYSA-N
XLogP5.16
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.35
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-[(2-chloro-5-methylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334149
4-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine
CID 115332381
6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334773
2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid
CID 115331403
N-tert-butyl-2-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine
CID 83159614
4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332906
N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 115335393
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine
CID 115334747
N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine
CID 115335410
6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethylhexan-3-amine
CID 115334703
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
1-[(2-bromo-5-tert-butylcyclohexyl)methyl]-3,5-dimethylbenzene
CID 63473186

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole (CID 115334166) is 6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole is CC(C)(C)C1CCC(Br)C(Cc2cn3ccsc3n2)C1.
What is the InChIKey of 6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is IURFGSXNPIKWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2S/c1-16(2,3)12-4-5-14(17)11(8-12)9-13-10-19-6-7-20-15(19)18-13/h6-7,10-12,14H,4-5,8-9H2,1-3H3.
What are the key properties of 6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole?
6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 355.35 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115334166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).