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

C12H18BrN3S — CID 107081163

IUPAC5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC(C)CCN(C)c1nc2sccn2c1CBr
InChIInChI=1S/C12H18BrN3S/c1-9(2)4-5-15(3)11-10(8-13)16-6-7-17-12(16)14-11/h6-7,9H,4-5,8H2,1-3H3
InChIKeyPYBHBTPDVGYMKK-UHFFFAOYSA-N
MW316.27 g/mol
LogP3.77
Rot. Bonds5

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

5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 107081163) has the molecular formula C12H18BrN3S and a molecular weight of 316.27 g/mol. Its IUPAC name is 5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID107081163
Molecular FormulaC12H18BrN3S
Molecular Weight316.27 g/mol
Exact Mass315.04
IUPAC Name5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC(C)CCN(C)c1nc2sccn2c1CBr
InChIInChI=1S/C12H18BrN3S/c1-9(2)4-5-15(3)11-10(8-13)16-6-7-17-12(16)14-11/h6-7,9H,4-5,8H2,1-3H3
InChIKeyPYBHBTPDVGYMKK-UHFFFAOYSA-N
XLogP3.77
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[6-[methyl(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 61428785
5-(bromomethyl)-N,N-bis(2-methylpropyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107080878
5-(2-aminobutyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 63816546
5-(bromomethyl)-N-methyl-N-pentan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107080468
3-[[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methylpropyl)amino]propanenitrile
CID 107082308
[6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 107870420
5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107082047
5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107081020
5-(bromomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 107083765
5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107082506
5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107083113
2-[[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(cyanomethyl)amino]acetonitrile
CID 107079203

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 107081163) is 5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine is CC(C)CCN(C)c1nc2sccn2c1CBr.
What is the InChIKey of 5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is PYBHBTPDVGYMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3S/c1-9(2)4-5-15(3)11-10(8-13)16-6-7-17-12(16)14-11/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 316.27 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 107081163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).