2-methylsulfinyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole

C11H8F3NOS2 — CID 21435676

IUPAC2-methylsulfinyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCS(=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C11H8F3NOS2/c1-18(16)10-15-9(6-17-10)7-3-2-4-8(5-7)11(12,13)14/h2-6H,1H3
InChIKeyDKBUZKBRRGURBU-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.57
Rot. Bonds2

About 2-methylsulfinyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole

2-methylsulfinyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 21435676) has the molecular formula C11H8F3NOS2 and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-methylsulfinyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methylsulfinyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID21435676
Molecular FormulaC11H8F3NOS2
Molecular Weight291.32 g/mol
Exact Mass291.00
IUPAC Name2-methylsulfinyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCS(=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C11H8F3NOS2/c1-18(16)10-15-9(6-17-10)7-3-2-4-8(5-7)11(12,13)14/h2-6H,1H3
InChIKeyDKBUZKBRRGURBU-UHFFFAOYSA-N
XLogP3.57
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-methylsulfinyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole (CID 21435676) is 2-methylsulfinyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-methylsulfinyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-methylsulfinyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole is CS(=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of 2-methylsulfinyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is DKBUZKBRRGURBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS2/c1-18(16)10-15-9(6-17-10)7-3-2-4-8(5-7)11(12,13)14/h2-6H,1H3.
What are the key properties of 2-methylsulfinyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
2-methylsulfinyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 291.32 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 21435676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).