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

C12H11BrN2OS — CID 2857481

IUPAC3-(5-bromo-2-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCOc1ccc(Br)cc1C1=CSC2=NCCN12
InChIInChI=1S/C12H11BrN2OS/c1-16-11-3-2-8(13)6-9(11)10-7-17-12-14-4-5-15(10)12/h2-3,6-7H,4-5H2,1H3
InChIKeyXNLVZJVHMYUGSY-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.17
Rot. Bonds2

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

3-(5-bromo-2-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 2857481) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID2857481
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name3-(5-bromo-2-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCOc1ccc(Br)cc1C1=CSC2=NCCN12
InChIInChI=1S/C12H11BrN2OS/c1-16-11-3-2-8(13)6-9(11)10-7-17-12-14-4-5-15(10)12/h2-3,6-7H,4-5H2,1H3
InChIKeyXNLVZJVHMYUGSY-UHFFFAOYSA-N
XLogP3.17
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Phenol, 4-bromo-2-(5,6-dihydroimidazo(2,1-b)thiazol-3-yl)-, monohydrochloride
CID 3074656
3-(4-Methoxy-phenyl)-5,6-dihydro-imidazo(2,1-B)thiazole, hydrobromide
CID 15563881
3-(3-Bromo-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
CID 23723153
Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(5-bromo-2-propoxyphenyl)-, monohydrochloride
CID 2843855
3-(3-Bromo-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 684864
3-(4-Methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 683044
4-Bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol
CID 658058
3-(5-Bromo-2-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 1612034
3-(4-Methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide
CID 21203531
4-Bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol chloride
CID 53314151
3-(3-Bromo-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole bromide
CID 53351549
4-Bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol;hydron;chloride
CID 658057

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 2857481) is 3-(5-bromo-2-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is COc1ccc(Br)cc1C1=CSC2=NCCN12.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is XNLVZJVHMYUGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-16-11-3-2-8(13)6-9(11)10-7-17-12-14-4-5-15(10)12/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(5-bromo-2-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 311.20 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 2857481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).