CID 163255982

C11H5BF3NO2S — CID 163255982

IUPAC—
SMILES[B]c1ccc(-c2nc(C(F)(F)F)c(C(=O)O)s2)cc1
InChIInChI=1S/C11H5BF3NO2S/c12-6-3-1-5(2-4-6)9-16-8(11(13,14)15)7(19-9)10(17)18/h1-4H,(H,17,18)
InChIKeyFNOQWTFJXIOFFA-UHFFFAOYSA-N
MW283.04 g/mol
LogP2.32
Rot. Bonds2

About CID 163255982

CID 163255982 (PubChem CID 163255982) has the molecular formula C11H5BF3NO2S and a molecular weight of 283.04 g/mol.

Molecular Properties

Compound NameCID 163255982
PubChem CID163255982
Molecular FormulaC11H5BF3NO2S
Molecular Weight283.04 g/mol
Exact Mass283.01
IUPAC Name—
SMILES[B]c1ccc(-c2nc(C(F)(F)F)c(C(=O)O)s2)cc1
InChIInChI=1S/C11H5BF3NO2S/c12-6-3-1-5(2-4-6)9-16-8(11(13,14)15)7(19-9)10(17)18/h1-4H,(H,17,18)
InChIKeyFNOQWTFJXIOFFA-UHFFFAOYSA-N
XLogP2.32
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.04
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 163255982 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-(4-ethylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82308450
2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 68770175
2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82276873
2-(2-cyano-4-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 156772337
2-(5-chloro-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 107124594
2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114358827
2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 114553888
4-tert-butyl-2-[4-(dimethylamino)phenyl]-1,3-thiazole-5-carboxylic acid
CID 114360581
2-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 114905340
2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82276870
2-(2-methoxy-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 106789844
2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82545842

Frequently Asked Questions

What is the IUPAC name of CID 163255982?
The IUPAC name of CID 163255982 (CID 163255982) is not available.
What is the SMILES notation for CID 163255982?
The canonical SMILES for CID 163255982 is [B]c1ccc(-c2nc(C(F)(F)F)c(C(=O)O)s2)cc1.
What is the InChIKey of CID 163255982?
The InChIKey is FNOQWTFJXIOFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BF3NO2S/c12-6-3-1-5(2-4-6)9-16-8(11(13,14)15)7(19-9)10(17)18/h1-4H,(H,17,18).
What are the key properties of CID 163255982?
CID 163255982 has a molecular weight of 283.04 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163255982 is sourced from PubChem (CID 163255982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).