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

C12H12BrN2OS- — CID 21203531

IUPAC3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide
SMILESCOc1ccc(C2=CSC3=NCCN23)cc1.[Br-]
InChIInChI=1S/C12H12N2OS.BrH/c1-15-10-4-2-9(3-5-10)11-8-16-12-13-6-7-14(11)12;/h2-5,8H,6-7H2,1H3;1H/p-1
InChIKeyANQDLJWVJKLTBD-UHFFFAOYSA-M
MW312.21 g/mol
LogP-0.58
Rot. Bonds2

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

3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide (PubChem CID 21203531) has the molecular formula C12H12BrN2OS- and a molecular weight of 312.21 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide
PubChem CID21203531
Molecular FormulaC12H12BrN2OS-
Molecular Weight312.21 g/mol
Exact Mass310.99
IUPAC Name3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide
SMILESCOc1ccc(C2=CSC3=NCCN23)cc1.[Br-]
InChIInChI=1S/C12H12N2OS.BrH/c1-15-10-4-2-9(3-5-10)11-8-16-12-13-6-7-14(11)12;/h2-5,8H,6-7H2,1H3;1H/p-1
InChIKeyANQDLJWVJKLTBD-UHFFFAOYSA-M
XLogP-0.58
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide?
The IUPAC name of 3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide (CID 21203531) is 3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide.
What is the SMILES notation for 3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide?
The canonical SMILES for 3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide is COc1ccc(C2=CSC3=NCCN23)cc1.[Br-].
What is the InChIKey of 3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide?
The InChIKey is ANQDLJWVJKLTBD-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12N2OS.BrH/c1-15-10-4-2-9(3-5-10)11-8-16-12-13-6-7-14(11)12;/h2-5,8H,6-7H2,1H3;1H/p-1.
What are the key properties of 3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide?
3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide has a molecular weight of 312.21 g/mol, XLogP of -0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide is sourced from PubChem (CID 21203531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).