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

C6H6F3NS — CID 22087235

IUPAC4,5-dimethyl-2-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)sc1C
InChIInChI=1S/C6H6F3NS/c1-3-4(2)11-5(10-3)6(7,8)9/h1-2H3
InChIKeyHINNIASFXSKPMP-UHFFFAOYSA-N
MW181.18 g/mol
LogP2.78
Rot. Bonds

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

4,5-dimethyl-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 22087235) has the molecular formula C6H6F3NS and a molecular weight of 181.18 g/mol. Its IUPAC name is 4,5-dimethyl-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(trifluoromethyl)-1,3-thiazole
PubChem CID22087235
Molecular FormulaC6H6F3NS
Molecular Weight181.18 g/mol
Exact Mass181.02
IUPAC Name4,5-dimethyl-2-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)sc1C
InChIInChI=1S/C6H6F3NS/c1-3-4(2)11-5(10-3)6(7,8)9/h1-2H3
InChIKeyHINNIASFXSKPMP-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 4,5-dimethyl-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(trifluoromethyl)-1,3-thiazole (CID 22087235) is 4,5-dimethyl-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(trifluoromethyl)-1,3-thiazole is Cc1nc(C(F)(F)F)sc1C.
What is the InChIKey of 4,5-dimethyl-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is HINNIASFXSKPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NS/c1-3-4(2)11-5(10-3)6(7,8)9/h1-2H3.
What are the key properties of 4,5-dimethyl-2-(trifluoromethyl)-1,3-thiazole?
4,5-dimethyl-2-(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 4,5-dimethyl-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 22087235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).