1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine

C13H19BrN4S — CID 107084284

IUPAC1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2nc3sccn3c2CBr)C1
InChIInChI=1S/C13H19BrN4S/c1-16(2)10-4-3-5-17(9-10)12-11(8-14)18-6-7-19-13(18)15-12/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyJQFSAEJTYLJSOF-UHFFFAOYSA-N
MW343.29 g/mol
LogP2.82
Rot. Bonds3

About 1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine

1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine (PubChem CID 107084284) has the molecular formula C13H19BrN4S and a molecular weight of 343.29 g/mol. Its IUPAC name is 1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine
PubChem CID107084284
Molecular FormulaC13H19BrN4S
Molecular Weight343.29 g/mol
Exact Mass342.05
IUPAC Name1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2nc3sccn3c2CBr)C1
InChIInChI=1S/C13H19BrN4S/c1-16(2)10-4-3-5-17(9-10)12-11(8-14)18-6-7-19-13(18)15-12/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyJQFSAEJTYLJSOF-UHFFFAOYSA-N
XLogP2.82
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(2-aminobutyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63795058
5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole
CID 107084069
4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethyl-1,4-oxazepane
CID 114218572
5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 102965868
5-(chloromethyl)-6-(4-methylazepan-1-yl)imidazo[2,1-b][1,3]thiazole
CID 63623554
2-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-yl]ethanol
CID 107228114
1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 63150946
5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 107084387
N-[[6-(3-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine
CID 43584762
1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-3-carboxamide
CID 43476199
1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol
CID 114679350
1-[6-(3-ethoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63817268

Frequently Asked Questions

What is the IUPAC name of 1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine (CID 107084284) is 1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(c2nc3sccn3c2CBr)C1.
What is the InChIKey of 1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is JQFSAEJTYLJSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4S/c1-16(2)10-4-3-5-17(9-10)12-11(8-14)18-6-7-19-13(18)15-12/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine?
1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 343.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 107084284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).