4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-thiazole

C6H6F3NS2 — CID 58088366

IUPAC4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCSCc1csc(C(F)(F)F)n1
InChIInChI=1S/C6H6F3NS2/c1-11-2-4-3-12-5(10-4)6(7,8)9/h3H,2H2,1H3
InChIKeyYFKJWYGSYYOPLN-UHFFFAOYSA-N
MW213.25 g/mol
LogP3.02
Rot. Bonds2

About 4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-thiazole

4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 58088366) has the molecular formula C6H6F3NS2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID58088366
Molecular FormulaC6H6F3NS2
Molecular Weight213.25 g/mol
Exact Mass212.99
IUPAC Name4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCSCc1csc(C(F)(F)F)n1
InChIInChI=1S/C6H6F3NS2/c1-11-2-4-3-12-5(10-4)6(7,8)9/h3H,2H2,1H3
InChIKeyYFKJWYGSYYOPLN-UHFFFAOYSA-N
XLogP3.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-thiazole (CID 58088366) is 4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-thiazole is CSCc1csc(C(F)(F)F)n1.
What is the InChIKey of 4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is YFKJWYGSYYOPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NS2/c1-11-2-4-3-12-5(10-4)6(7,8)9/h3H,2H2,1H3.
What are the key properties of 4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 213.25 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 58088366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).