[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-cyclohexylmethanol

C18H19BrN2OS — CID 155532803

IUPAC[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-cyclohexylmethanol
SMILESOC(c1cnc2scc(-c3ccc(Br)cc3)n12)C1CCCCC1
InChIInChI=1S/C18H19BrN2OS/c19-14-8-6-12(7-9-14)16-11-23-18-20-10-15(21(16)18)17(22)13-4-2-1-3-5-13/h6-11,13,17,22H,1-5H2
InChIKeyKCMMZUFDVVYQHB-UHFFFAOYSA-N
MW391.33 g/mol
LogP5.44
Rot. Bonds3

About [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-cyclohexylmethanol

[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-cyclohexylmethanol (PubChem CID 155532803) has the molecular formula C18H19BrN2OS and a molecular weight of 391.33 g/mol. Its IUPAC name is [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-cyclohexylmethanol.

Molecular Properties

Compound Name[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-cyclohexylmethanol
PubChem CID155532803
Molecular FormulaC18H19BrN2OS
Molecular Weight391.33 g/mol
Exact Mass390.04
IUPAC Name[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-cyclohexylmethanol
SMILESOC(c1cnc2scc(-c3ccc(Br)cc3)n12)C1CCCCC1
InChIInChI=1S/C18H19BrN2OS/c19-14-8-6-12(7-9-14)16-11-23-18-20-10-15(21(16)18)17(22)13-4-2-1-3-5-13/h6-11,13,17,22H,1-5H2
InChIKeyKCMMZUFDVVYQHB-UHFFFAOYSA-N
XLogP5.44
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.33
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-cyclohexylmethanol 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 [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-cyclohexylmethanol?
The IUPAC name of [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-cyclohexylmethanol (CID 155532803) is [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-cyclohexylmethanol.
What is the SMILES notation for [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-cyclohexylmethanol?
The canonical SMILES for [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-cyclohexylmethanol is OC(c1cnc2scc(-c3ccc(Br)cc3)n12)C1CCCCC1.
What is the InChIKey of [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-cyclohexylmethanol?
The InChIKey is KCMMZUFDVVYQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2OS/c19-14-8-6-12(7-9-14)16-11-23-18-20-10-15(21(16)18)17(22)13-4-2-1-3-5-13/h6-11,13,17,22H,1-5H2.
What are the key properties of [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-cyclohexylmethanol?
[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-cyclohexylmethanol has a molecular weight of 391.33 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-cyclohexylmethanol is sourced from PubChem (CID 155532803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).