2,6-dibromo-4-[(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-hydroxymethyl]phenol

C14H12Br2N2O2S — CID 134535471

IUPAC2,6-dibromo-4-[(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-hydroxymethyl]phenol
SMILESCCc1nc2sccn2c1C(O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H12Br2N2O2S/c1-2-10-11(18-3-4-21-14(18)17-10)12(19)7-5-8(15)13(20)9(16)6-7/h3-6,12,19-20H,2H2,1H3
InChIKeyWGUGSYMFFOWWCZ-UHFFFAOYSA-N
MW432.14 g/mol
LogP4.27
Rot. Bonds3

About 2,6-dibromo-4-[(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-hydroxymethyl]phenol

2,6-dibromo-4-[(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-hydroxymethyl]phenol (PubChem CID 134535471) has the molecular formula C14H12Br2N2O2S and a molecular weight of 432.14 g/mol. Its IUPAC name is 2,6-dibromo-4-[(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-hydroxymethyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-hydroxymethyl]phenol
PubChem CID134535471
Molecular FormulaC14H12Br2N2O2S
Molecular Weight432.14 g/mol
Exact Mass429.90
IUPAC Name2,6-dibromo-4-[(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-hydroxymethyl]phenol
SMILESCCc1nc2sccn2c1C(O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H12Br2N2O2S/c1-2-10-11(18-3-4-21-14(18)17-10)12(19)7-5-8(15)13(20)9(16)6-7/h3-6,12,19-20H,2H2,1H3
InChIKeyWGUGSYMFFOWWCZ-UHFFFAOYSA-N
XLogP4.27
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.14
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-hydroxymethyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-hydroxymethyl]phenol (CID 134535471) is 2,6-dibromo-4-[(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-hydroxymethyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-hydroxymethyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-hydroxymethyl]phenol is CCc1nc2sccn2c1C(O)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-hydroxymethyl]phenol?
The InChIKey is WGUGSYMFFOWWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2S/c1-2-10-11(18-3-4-21-14(18)17-10)12(19)7-5-8(15)13(20)9(16)6-7/h3-6,12,19-20H,2H2,1H3.
What are the key properties of 2,6-dibromo-4-[(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-hydroxymethyl]phenol?
2,6-dibromo-4-[(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-hydroxymethyl]phenol has a molecular weight of 432.14 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-hydroxymethyl]phenol is sourced from PubChem (CID 134535471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).