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

C14H13Br2N3S — CID 107081020

IUPAC5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(Cc1ccccc1Br)c1nc2sccn2c1CBr
InChIInChI=1S/C14H13Br2N3S/c1-18(9-10-4-2-3-5-11(10)16)13-12(8-15)19-6-7-20-14(19)17-13/h2-7H,8-9H2,1H3
InChIKeyYXONEUPSDLHFOH-UHFFFAOYSA-N
MW415.15 g/mol
LogP4.69
Rot. Bonds4

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

5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 107081020) has the molecular formula C14H13Br2N3S and a molecular weight of 415.15 g/mol. Its IUPAC name is 5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID107081020
Molecular FormulaC14H13Br2N3S
Molecular Weight415.15 g/mol
Exact Mass412.92
IUPAC Name5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(Cc1ccccc1Br)c1nc2sccn2c1CBr
InChIInChI=1S/C14H13Br2N3S/c1-18(9-10-4-2-3-5-11(10)16)13-12(8-15)19-6-7-20-14(19)17-13/h2-7H,8-9H2,1H3
InChIKeyYXONEUPSDLHFOH-UHFFFAOYSA-N
XLogP4.69
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.15
LogP ≤ 54.69
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

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-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107081163
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
5-(bromomethyl)-N,N-bis(2-methylpropyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107080878
5-(bromomethyl)-N-methyl-N-pentan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107080468
5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43564433
N-[(3-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61415968
6-[methyl-[(2-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780524
5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63786892
2-[[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(cyanomethyl)amino]acetonitrile
CID 107079203
5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 61418071

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (CID 107081020) is 5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is CN(Cc1ccccc1Br)c1nc2sccn2c1CBr.
What is the InChIKey of 5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is YXONEUPSDLHFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N3S/c1-18(9-10-4-2-3-5-11(10)16)13-12(8-15)19-6-7-20-14(19)17-13/h2-7H,8-9H2,1H3.
What are the key properties of 5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 415.15 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 107081020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).