4-bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol;hydron;chloride

C11H10BrClN2OS — CID 658057

IUPAC4-bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol;hydron;chloride
SMILESOc1ccc(Br)cc1C1=CSC2=NCCN12.[Cl-].[H+]
InChIInChI=1S/C11H9BrN2OS.ClH/c12-7-1-2-10(15)8(5-7)9-6-16-11-13-3-4-14(9)11;/h1-2,5-6,15H,3-4H2;1H
InChIKeyTXRHDKCVBACQFW-UHFFFAOYSA-N
MW333.64 g/mol
LogP-0.01
Rot. Bonds1

About 4-bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol;hydron;chloride

4-bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol;hydron;chloride (PubChem CID 658057) has the molecular formula C11H10BrClN2OS and a molecular weight of 333.64 g/mol. Its IUPAC name is 4-bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol;hydron;chloride.

Molecular Properties

Compound Name4-bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol;hydron;chloride
PubChem CID658057
Molecular FormulaC11H10BrClN2OS
Molecular Weight333.64 g/mol
Exact Mass331.94
IUPAC Name4-bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol;hydron;chloride
SMILESOc1ccc(Br)cc1C1=CSC2=NCCN12.[Cl-].[H+]
InChIInChI=1S/C11H9BrN2OS.ClH/c12-7-1-2-10(15)8(5-7)9-6-16-11-13-3-4-14(9)11;/h1-2,5-6,15H,3-4H2;1H
InChIKeyTXRHDKCVBACQFW-UHFFFAOYSA-N
XLogP-0.01
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.64
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
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
Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(5-bromo-2-propoxyphenyl)-, monohydrochloride
CID 2843855
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-(5-Bromo-2-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 2857481
4-(5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol;hydrobromide
CID 24190780
4-Bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol chloride
CID 53314151
2-(5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol
CID 11608222
2-(5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-methylphenol
CID 11658692
methyl N'-[(5-bromo-2-hydroxyphenyl)methyl]-N-(1-hydroxyethyl)-N-methylcarbamimidothioate
CID 163670093
4-[[(5-bromo-2-hydroxyphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379736

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol;hydron;chloride?
The IUPAC name of 4-bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol;hydron;chloride (CID 658057) is 4-bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol;hydron;chloride.
What is the SMILES notation for 4-bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol;hydron;chloride?
The canonical SMILES for 4-bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol;hydron;chloride is Oc1ccc(Br)cc1C1=CSC2=NCCN12.[Cl-].[H+].
What is the InChIKey of 4-bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol;hydron;chloride?
The InChIKey is TXRHDKCVBACQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS.ClH/c12-7-1-2-10(15)8(5-7)9-6-16-11-13-3-4-14(9)11;/h1-2,5-6,15H,3-4H2;1H.
What are the key properties of 4-bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol;hydron;chloride?
4-bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol;hydron;chloride has a molecular weight of 333.64 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol;hydron;chloride is sourced from PubChem (CID 658057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).