5-propan-2-yl-2-(trifluoromethylsulfanyl)-1,3-thiazole

C7H8F3NS2 — CID 144946106

IUPAC5-propan-2-yl-2-(trifluoromethylsulfanyl)-1,3-thiazole
SMILESCC(C)c1cnc(SC(F)(F)F)s1
InChIInChI=1S/C7H8F3NS2/c1-4(2)5-3-11-6(12-5)13-7(8,9)10/h3-4H,1-2H3
InChIKeyJKSNRIDXFNWTQH-UHFFFAOYSA-N
MW227.28 g/mol
LogP3.88
Rot. Bonds2

About 5-propan-2-yl-2-(trifluoromethylsulfanyl)-1,3-thiazole

5-propan-2-yl-2-(trifluoromethylsulfanyl)-1,3-thiazole (PubChem CID 144946106) has the molecular formula C7H8F3NS2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 5-propan-2-yl-2-(trifluoromethylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name5-propan-2-yl-2-(trifluoromethylsulfanyl)-1,3-thiazole
PubChem CID144946106
Molecular FormulaC7H8F3NS2
Molecular Weight227.28 g/mol
Exact Mass227.01
IUPAC Name5-propan-2-yl-2-(trifluoromethylsulfanyl)-1,3-thiazole
SMILESCC(C)c1cnc(SC(F)(F)F)s1
InChIInChI=1S/C7H8F3NS2/c1-4(2)5-3-11-6(12-5)13-7(8,9)10/h3-4H,1-2H3
InChIKeyJKSNRIDXFNWTQH-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 53.88
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 5-propan-2-yl-2-(trifluoromethylsulfanyl)-1,3-thiazole?
The IUPAC name of 5-propan-2-yl-2-(trifluoromethylsulfanyl)-1,3-thiazole (CID 144946106) is 5-propan-2-yl-2-(trifluoromethylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 5-propan-2-yl-2-(trifluoromethylsulfanyl)-1,3-thiazole?
The canonical SMILES for 5-propan-2-yl-2-(trifluoromethylsulfanyl)-1,3-thiazole is CC(C)c1cnc(SC(F)(F)F)s1.
What is the InChIKey of 5-propan-2-yl-2-(trifluoromethylsulfanyl)-1,3-thiazole?
The InChIKey is JKSNRIDXFNWTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NS2/c1-4(2)5-3-11-6(12-5)13-7(8,9)10/h3-4H,1-2H3.
What are the key properties of 5-propan-2-yl-2-(trifluoromethylsulfanyl)-1,3-thiazole?
5-propan-2-yl-2-(trifluoromethylsulfanyl)-1,3-thiazole has a molecular weight of 227.28 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(trifluoromethylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 144946106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).