2,5-dimethyl-4-(trifluoromethyl)-1,3-thiazole

C6H6F3NS — CID 23392047

IUPAC2,5-dimethyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(C)s1
InChIInChI=1S/C6H6F3NS/c1-3-5(6(7,8)9)10-4(2)11-3/h1-2H3
InChIKeySYFMPVAJJDRPRJ-UHFFFAOYSA-N
MW181.18 g/mol
LogP2.78
Rot. Bonds

About 2,5-dimethyl-4-(trifluoromethyl)-1,3-thiazole

2,5-dimethyl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 23392047) has the molecular formula C6H6F3NS and a molecular weight of 181.18 g/mol. Its IUPAC name is 2,5-dimethyl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID23392047
Molecular FormulaC6H6F3NS
Molecular Weight181.18 g/mol
Exact Mass181.02
IUPAC Name2,5-dimethyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(C)s1
InChIInChI=1S/C6H6F3NS/c1-3-5(6(7,8)9)10-4(2)11-3/h1-2H3
InChIKeySYFMPVAJJDRPRJ-UHFFFAOYSA-N
XLogP2.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-4-(trifluoromethyl)-1,3-thiazole (CID 23392047) is 2,5-dimethyl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-4-(trifluoromethyl)-1,3-thiazole is Cc1nc(C(F)(F)F)c(C)s1.
What is the InChIKey of 2,5-dimethyl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is SYFMPVAJJDRPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NS/c1-3-5(6(7,8)9)10-4(2)11-3/h1-2H3.
What are the key properties of 2,5-dimethyl-4-(trifluoromethyl)-1,3-thiazole?
2,5-dimethyl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 181.18 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 23392047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).