[4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol

C11H12Br2N4O2S — CID 135171523

IUPAC[4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol
SMILESOCc1nc(Br)c(Br)n1-c1csc(N2CCOCC2)n1
InChIInChI=1S/C11H12Br2N4O2S/c12-9-10(13)17(7(5-18)14-9)8-6-20-11(15-8)16-1-3-19-4-2-16/h6,18H,1-5H2
InChIKeyUCURUBHEGGVBTA-UHFFFAOYSA-N
MW424.12 g/mol
LogP2.18
Rot. Bonds3

About [4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol

[4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol (PubChem CID 135171523) has the molecular formula C11H12Br2N4O2S and a molecular weight of 424.12 g/mol. Its IUPAC name is [4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol.

Molecular Properties

Compound Name[4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol
PubChem CID135171523
Molecular FormulaC11H12Br2N4O2S
Molecular Weight424.12 g/mol
Exact Mass421.90
IUPAC Name[4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol
SMILESOCc1nc(Br)c(Br)n1-c1csc(N2CCOCC2)n1
InChIInChI=1S/C11H12Br2N4O2S/c12-9-10(13)17(7(5-18)14-9)8-6-20-11(15-8)16-1-3-19-4-2-16/h6,18H,1-5H2
InChIKeyUCURUBHEGGVBTA-UHFFFAOYSA-N
XLogP2.18
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.12
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol?
The IUPAC name of [4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol (CID 135171523) is [4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol.
What is the SMILES notation for [4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol?
The canonical SMILES for [4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol is OCc1nc(Br)c(Br)n1-c1csc(N2CCOCC2)n1.
What is the InChIKey of [4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol?
The InChIKey is UCURUBHEGGVBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N4O2S/c12-9-10(13)17(7(5-18)14-9)8-6-20-11(15-8)16-1-3-19-4-2-16/h6,18H,1-5H2.
What are the key properties of [4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol?
[4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol has a molecular weight of 424.12 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol is sourced from PubChem (CID 135171523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).