CID 89118334

C4HBF3NS — CID 89118334

IUPAC—
SMILES[B]c1csc(C(F)(F)F)n1
InChIInChI=1S/C4HBF3NS/c5-2-1-10-3(9-2)4(6,7)8/h1H
InChIKeyGVZHAKMHIVPABS-UHFFFAOYSA-N
MW162.93 g/mol
LogP0.96
Rot. Bonds

About CID 89118334

CID 89118334 (PubChem CID 89118334) has the molecular formula C4HBF3NS and a molecular weight of 162.93 g/mol.

Molecular Properties

Compound NameCID 89118334
PubChem CID89118334
Molecular FormulaC4HBF3NS
Molecular Weight162.93 g/mol
Exact Mass162.99
IUPAC Name—
SMILES[B]c1csc(C(F)(F)F)n1
InChIInChI=1S/C4HBF3NS/c5-2-1-10-3(9-2)4(6,7)8/h1H
InChIKeyGVZHAKMHIVPABS-UHFFFAOYSA-N
XLogP0.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.93
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-(trifluoromethyl)-1,3-thiazole
CID 23533400
[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 118988320
2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 96864974
4-thiophen-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 116967666
CID 142019164
CID 142019164
4-(1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 116967685
2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 89488133
4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 112700792
N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 121264029
4-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 116967689
2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine
CID 19974265
4-[diethoxyphosphoryl(fluoro)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 54447233

Frequently Asked Questions

What is the IUPAC name of CID 89118334?
The IUPAC name of CID 89118334 (CID 89118334) is not available.
What is the SMILES notation for CID 89118334?
The canonical SMILES for CID 89118334 is [B]c1csc(C(F)(F)F)n1.
What is the InChIKey of CID 89118334?
The InChIKey is GVZHAKMHIVPABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBF3NS/c5-2-1-10-3(9-2)4(6,7)8/h1H.
What are the key properties of CID 89118334?
CID 89118334 has a molecular weight of 162.93 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89118334 is sourced from PubChem (CID 89118334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).