ethane;[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid

C9H14BN3O2S — CID 144606787

IUPACethane;[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid
SMILESCC.Cn1nc(-c2nccs2)cc1B(O)O
InChIInChI=1S/C7H8BN3O2S.C2H6/c1-11-6(8(12)13)4-5(10-11)7-9-2-3-14-7;1-2/h2-4,12-13H,1H3;1-2H3
InChIKeyUWHGCECZHOWMEH-UHFFFAOYSA-N
MW239.11 g/mol
LogP0.25
Rot. Bonds2

About ethane;[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid

ethane;[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid (PubChem CID 144606787) has the molecular formula C9H14BN3O2S and a molecular weight of 239.11 g/mol. Its IUPAC name is ethane;[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid.

Molecular Properties

Compound Nameethane;[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid
PubChem CID144606787
Molecular FormulaC9H14BN3O2S
Molecular Weight239.11 g/mol
Exact Mass239.09
IUPAC Nameethane;[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid
SMILESCC.Cn1nc(-c2nccs2)cc1B(O)O
InChIInChI=1S/C7H8BN3O2S.C2H6/c1-11-6(8(12)13)4-5(10-11)7-9-2-3-14-7;1-2/h2-4,12-13H,1H3;1-2H3
InChIKeyUWHGCECZHOWMEH-UHFFFAOYSA-N
XLogP0.25
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethane;[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid 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

2-(1H-pyrazol-3-yl)-1,3-thiazole
CID 3363559
6-Methylpyrazolo[3,2-b][1,3]thiazole
CID 66856117
4-(chloromethyl)-2-(1-methyl-1H-pyrazol-3-yl)-1,3-thiazole
CID 65195624
2-[1-ethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-3-yl]-1,3-thiazole
CID 125449128
1-[5-Methylsulfanyl-3-(1,3-thiazol-2-yl)pyrazol-1-yl]ethanone
CID 2740140
N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-2-sulfonamide
CID 71912971
N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]butane-1-sulfonamide
CID 132391982
4-[(Diethylsulfamoylamino)methyl]-2-(1-methylpyrazol-3-yl)-1,3-thiazole
CID 132393963
4-[[[Methyl(propan-2-yl)sulfamoyl]amino]methyl]-2-(1-methylpyrazol-3-yl)-1,3-thiazole
CID 132393965
2-[[(1-methyl-1H-pyrazol-5-yl)methyl](1,3-thiazol-2-ylmethyl)amino]ethanol
CID 132406542
2-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-YL)thiazole
CID 22288373
2-(4-Fluoro-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,3-thiazole
CID 71055506

Frequently Asked Questions

What is the IUPAC name of ethane;[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid?
The IUPAC name of ethane;[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid (CID 144606787) is ethane;[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid.
What is the SMILES notation for ethane;[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid?
The canonical SMILES for ethane;[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid is CC.Cn1nc(-c2nccs2)cc1B(O)O.
What is the InChIKey of ethane;[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid?
The InChIKey is UWHGCECZHOWMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BN3O2S.C2H6/c1-11-6(8(12)13)4-5(10-11)7-9-2-3-14-7;1-2/h2-4,12-13H,1H3;1-2H3.
What are the key properties of ethane;[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid?
ethane;[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid has a molecular weight of 239.11 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid is sourced from PubChem (CID 144606787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).