[6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol

C12H8BrN3O4S — CID 65429809

IUPAC[6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESO=[N+]([O-])c1cc(Br)ccc1Oc1nc2sccn2c1CO
InChIInChI=1S/C12H8BrN3O4S/c13-7-1-2-10(8(5-7)16(18)19)20-11-9(6-17)15-3-4-21-12(15)14-11/h1-5,17H,6H2
InChIKeyGLOUYPBXSACRMT-UHFFFAOYSA-N
MW370.18 g/mol
LogP3.35
Rot. Bonds4

About [6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol

[6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol (PubChem CID 65429809) has the molecular formula C12H8BrN3O4S and a molecular weight of 370.18 g/mol. Its IUPAC name is [6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
PubChem CID65429809
Molecular FormulaC12H8BrN3O4S
Molecular Weight370.18 g/mol
Exact Mass368.94
IUPAC Name[6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESO=[N+]([O-])c1cc(Br)ccc1Oc1nc2sccn2c1CO
InChIInChI=1S/C12H8BrN3O4S/c13-7-1-2-10(8(5-7)16(18)19)20-11-9(6-17)15-3-4-21-12(15)14-11/h1-5,17H,6H2
InChIKeyGLOUYPBXSACRMT-UHFFFAOYSA-N
XLogP3.35
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.18
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-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

Related Compounds

[6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 65429632
[6-(2,4-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476093
5-(bromomethyl)-6-(5-fluoro-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazole
CID 107088041
[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476132
5-(bromomethyl)-6-(2-bromo-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole
CID 107088927
N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 43476755
[6-(3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476129
[4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol
CID 61229919
3-fluoro-4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxybenzonitrile
CID 107666116
[6-(2,3-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476053
5-(bromomethyl)-6-(2-fluoro-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole
CID 107089176
1-[6-(5-bromo-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 107286779

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The IUPAC name of [6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol (CID 65429809) is [6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol.
What is the SMILES notation for [6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The canonical SMILES for [6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol is O=[N+]([O-])c1cc(Br)ccc1Oc1nc2sccn2c1CO.
What is the InChIKey of [6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The InChIKey is GLOUYPBXSACRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O4S/c13-7-1-2-10(8(5-7)16(18)19)20-11-9(6-17)15-3-4-21-12(15)14-11/h1-5,17H,6H2.
What are the key properties of [6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
[6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol has a molecular weight of 370.18 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol is sourced from PubChem (CID 65429809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).