5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

C14H14BrN3OS — CID 107082506

IUPAC5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCOc1ccc(N(C)c2nc3sccn3c2CBr)cc1
InChIInChI=1S/C14H14BrN3OS/c1-17(10-3-5-11(19-2)6-4-10)13-12(9-15)18-7-8-20-14(18)16-13/h3-8H,9H2,1-2H3
InChIKeyLNDHOPILQXMULT-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.07
Rot. Bonds4

About 5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 107082506) has the molecular formula C14H14BrN3OS and a molecular weight of 352.26 g/mol. Its IUPAC name is 5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID107082506
Molecular FormulaC14H14BrN3OS
Molecular Weight352.26 g/mol
Exact Mass351.00
IUPAC Name5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCOc1ccc(N(C)c2nc3sccn3c2CBr)cc1
InChIInChI=1S/C14H14BrN3OS/c1-17(10-3-5-11(19-2)6-4-10)13-12(9-15)18-7-8-20-14(18)16-13/h3-8H,9H2,1-2H3
InChIKeyLNDHOPILQXMULT-UHFFFAOYSA-N
XLogP4.07
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.07
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

5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107087238
5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 61418071
5-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63786186
5-(2-aminopropyl)-N-methyl-N-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 63815102
5-(bromomethyl)-N,N-bis(2-methylpropyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107080878
5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107081163
5-(bromomethyl)-N-methyl-N-pentan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107080468
5-(bromomethyl)-N-[(2-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107081020
2-[[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(cyanomethyl)amino]acetonitrile
CID 107079203
5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107082047
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)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107087459

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (CID 107082506) is 5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is COc1ccc(N(C)c2nc3sccn3c2CBr)cc1.
What is the InChIKey of 5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is LNDHOPILQXMULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3OS/c1-17(10-3-5-11(19-2)6-4-10)13-12(9-15)18-7-8-20-14(18)16-13/h3-8H,9H2,1-2H3.
What are the key properties of 5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 352.26 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 107082506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).