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

C12H13BrN2OS — CID 15563881

IUPAC3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.COc1ccc(C2=CSC3=NCCN23)cc1
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
InChIKeyANQDLJWVJKLTBD-UHFFFAOYSA-N
MW313.22 g/mol
LogP2.99
Rot. Bonds2

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

3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (PubChem CID 15563881) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
PubChem CID15563881
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.COc1ccc(C2=CSC3=NCCN23)cc1
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
InChIKeyANQDLJWVJKLTBD-UHFFFAOYSA-N
XLogP2.99
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 52.99
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;hydrobromide?
The IUPAC name of 3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (CID 15563881) is 3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.
What is the SMILES notation for 3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The canonical SMILES for 3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is Br.COc1ccc(C2=CSC3=NCCN23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The InChIKey is ANQDLJWVJKLTBD-UHFFFAOYSA-N. 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.
What are the key properties of 3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
3-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide has a molecular weight of 313.22 g/mol, XLogP of 2.99, 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;hydrobromide is sourced from PubChem (CID 15563881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).