2-[2-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole;hydrochloride

C10H7ClF3NS2 — CID 22155981

IUPAC2-[2-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)c1ccccc1Sc1nccs1
InChIInChI=1S/C10H6F3NS2.ClH/c11-10(12,13)7-3-1-2-4-8(7)16-9-14-5-6-15-9;/h1-6H;1H
InChIKeyYYYWFLDWDBEJLB-UHFFFAOYSA-N
MW297.75 g/mol
LogP4.73
Rot. Bonds2

About 2-[2-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole;hydrochloride

2-[2-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole;hydrochloride (PubChem CID 22155981) has the molecular formula C10H7ClF3NS2 and a molecular weight of 297.75 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole;hydrochloride
PubChem CID22155981
Molecular FormulaC10H7ClF3NS2
Molecular Weight297.75 g/mol
Exact Mass296.97
IUPAC Name2-[2-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)c1ccccc1Sc1nccs1
InChIInChI=1S/C10H6F3NS2.ClH/c11-10(12,13)7-3-1-2-4-8(7)16-9-14-5-6-15-9;/h1-6H;1H
InChIKeyYYYWFLDWDBEJLB-UHFFFAOYSA-N
XLogP4.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole;hydrochloride?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole;hydrochloride (CID 22155981) is 2-[2-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole;hydrochloride is Cl.FC(F)(F)c1ccccc1Sc1nccs1.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole;hydrochloride?
The InChIKey is YYYWFLDWDBEJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NS2.ClH/c11-10(12,13)7-3-1-2-4-8(7)16-9-14-5-6-15-9;/h1-6H;1H.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole;hydrochloride?
2-[2-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole;hydrochloride has a molecular weight of 297.75 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 22155981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).