3-(3-bromo-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide

C12H11Br2N2OS- — CID 53351549

IUPAC3-(3-bromo-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide
SMILESCOc1ccc(C2=CSC3=NCCN23)cc1Br.[Br-]
InChIInChI=1S/C12H11BrN2OS.BrH/c1-16-11-3-2-8(6-9(11)13)10-7-17-12-14-4-5-15(10)12;/h2-3,6-7H,4-5H2,1H3;1H/p-1
InChIKeyNMYNWUGOASNMAD-UHFFFAOYSA-M
MW391.11 g/mol
LogP0.18
Rot. Bonds2

About 3-(3-bromo-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide

3-(3-bromo-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide (PubChem CID 53351549) has the molecular formula C12H11Br2N2OS- and a molecular weight of 391.11 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide
PubChem CID53351549
Molecular FormulaC12H11Br2N2OS-
Molecular Weight391.11 g/mol
Exact Mass388.90
IUPAC Name3-(3-bromo-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide
SMILESCOc1ccc(C2=CSC3=NCCN23)cc1Br.[Br-]
InChIInChI=1S/C12H11BrN2OS.BrH/c1-16-11-3-2-8(6-9(11)13)10-7-17-12-14-4-5-15(10)12;/h2-3,6-7H,4-5H2,1H3;1H/p-1
InChIKeyNMYNWUGOASNMAD-UHFFFAOYSA-M
XLogP0.18
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.11
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide (CID 53351549) is 3-(3-bromo-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide is COc1ccc(C2=CSC3=NCCN23)cc1Br.[Br-].
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide?
The InChIKey is NMYNWUGOASNMAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11BrN2OS.BrH/c1-16-11-3-2-8(6-9(11)13)10-7-17-12-14-4-5-15(10)12;/h2-3,6-7H,4-5H2,1H3;1H/p-1.
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide?
3-(3-bromo-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide has a molecular weight of 391.11 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide is sourced from PubChem (CID 53351549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).