2-methyl-5-(trifluoromethylsulfanyl)-1,3-thiazole

C5H4F3NS2 — CID 118466157

IUPAC2-methyl-5-(trifluoromethylsulfanyl)-1,3-thiazole
SMILESCc1ncc(SC(F)(F)F)s1
InChIInChI=1S/C5H4F3NS2/c1-3-9-2-4(10-3)11-5(6,7)8/h2H,1H3
InChIKeyMMCSRIXVJHCQTC-UHFFFAOYSA-N
MW199.22 g/mol
LogP3.06
Rot. Bonds1

About 2-methyl-5-(trifluoromethylsulfanyl)-1,3-thiazole

2-methyl-5-(trifluoromethylsulfanyl)-1,3-thiazole (PubChem CID 118466157) has the molecular formula C5H4F3NS2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethylsulfanyl)-1,3-thiazole
PubChem CID118466157
Molecular FormulaC5H4F3NS2
Molecular Weight199.22 g/mol
Exact Mass198.97
IUPAC Name2-methyl-5-(trifluoromethylsulfanyl)-1,3-thiazole
SMILESCc1ncc(SC(F)(F)F)s1
InChIInChI=1S/C5H4F3NS2/c1-3-9-2-4(10-3)11-5(6,7)8/h2H,1H3
InChIKeyMMCSRIXVJHCQTC-UHFFFAOYSA-N
XLogP3.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethylsulfanyl)-1,3-thiazole?
The IUPAC name of 2-methyl-5-(trifluoromethylsulfanyl)-1,3-thiazole (CID 118466157) is 2-methyl-5-(trifluoromethylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-(trifluoromethylsulfanyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-5-(trifluoromethylsulfanyl)-1,3-thiazole is Cc1ncc(SC(F)(F)F)s1.
What is the InChIKey of 2-methyl-5-(trifluoromethylsulfanyl)-1,3-thiazole?
The InChIKey is MMCSRIXVJHCQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NS2/c1-3-9-2-4(10-3)11-5(6,7)8/h2H,1H3.
What are the key properties of 2-methyl-5-(trifluoromethylsulfanyl)-1,3-thiazole?
2-methyl-5-(trifluoromethylsulfanyl)-1,3-thiazole has a molecular weight of 199.22 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 118466157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).