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

C6H8F3NS — CID 142181860

IUPAC2,5-dimethyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C(F)(F)F)NC(C)S1
InChIInChI=1S/C6H8F3NS/c1-3-5(6(7,8)9)10-4(2)11-3/h4,10H,1-2H3
InChIKeySMOZPBQCKCWEDI-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.46
Rot. Bonds

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

2,5-dimethyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole (PubChem CID 142181860) has the molecular formula C6H8F3NS and a molecular weight of 183.20 g/mol. Its IUPAC name is 2,5-dimethyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole
PubChem CID142181860
Molecular FormulaC6H8F3NS
Molecular Weight183.20 g/mol
Exact Mass183.03
IUPAC Name2,5-dimethyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C(F)(F)F)NC(C)S1
InChIInChI=1S/C6H8F3NS/c1-3-5(6(7,8)9)10-4(2)11-3/h4,10H,1-2H3
InChIKeySMOZPBQCKCWEDI-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole (CID 142181860) is 2,5-dimethyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole is CC1=C(C(F)(F)F)NC(C)S1.
What is the InChIKey of 2,5-dimethyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole?
The InChIKey is SMOZPBQCKCWEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NS/c1-3-5(6(7,8)9)10-4(2)11-3/h4,10H,1-2H3.
What are the key properties of 2,5-dimethyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole?
2,5-dimethyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole has a molecular weight of 183.20 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 142181860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).