6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole

C14H12Br2N2S — CID 113289485

IUPAC6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
SMILESBrCC(Cc1cn2ccsc2n1)c1cccc(Br)c1
InChIInChI=1S/C14H12Br2N2S/c15-8-11(10-2-1-3-12(16)6-10)7-13-9-18-4-5-19-14(18)17-13/h1-6,9,11H,7-8H2
InChIKeyOAJBZZYDEOJBOR-UHFFFAOYSA-N
MW400.14 g/mol
LogP4.88
Rot. Bonds4

About 6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole

6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 113289485) has the molecular formula C14H12Br2N2S and a molecular weight of 400.14 g/mol. Its IUPAC name is 6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
PubChem CID113289485
Molecular FormulaC14H12Br2N2S
Molecular Weight400.14 g/mol
Exact Mass397.91
IUPAC Name6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
SMILESBrCC(Cc1cn2ccsc2n1)c1cccc(Br)c1
InChIInChI=1S/C14H12Br2N2S/c15-8-11(10-2-1-3-12(16)6-10)7-13-9-18-4-5-19-14(18)17-13/h1-6,9,11H,7-8H2
InChIKeyOAJBZZYDEOJBOR-UHFFFAOYSA-N
XLogP4.88
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.14
LogP ≤ 54.88
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-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335272
6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335201
N-ethyl-2-(3-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115334415
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 113289105
[1-(3,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]hydrazine
CID 107979339
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-iodophenyl)ethanol
CID 115828163
1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 113289109
1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 114906198
1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 82704079
6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335208
1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 107946541

Frequently Asked Questions

What is the IUPAC name of 6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole (CID 113289485) is 6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole is BrCC(Cc1cn2ccsc2n1)c1cccc(Br)c1.
What is the InChIKey of 6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is OAJBZZYDEOJBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2S/c15-8-11(10-2-1-3-12(16)6-10)7-13-9-18-4-5-19-14(18)17-13/h1-6,9,11H,7-8H2.
What are the key properties of 6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole?
6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 400.14 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 113289485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).