5-tert-butyl-2-methyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole

C9H14F3NS — CID 58027289

IUPAC5-tert-butyl-2-methyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole
SMILESCC1NC(C(F)(F)F)=C(C(C)(C)C)S1
InChIInChI=1S/C9H14F3NS/c1-5-13-6(9(10,11)12)7(14-5)8(2,3)4/h5,13H,1-4H3
InChIKeyKJEFIKAHLUIWQF-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.49
Rot. Bonds

About 5-tert-butyl-2-methyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole

5-tert-butyl-2-methyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole (PubChem CID 58027289) has the molecular formula C9H14F3NS and a molecular weight of 225.28 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole
PubChem CID58027289
Molecular FormulaC9H14F3NS
Molecular Weight225.28 g/mol
Exact Mass225.08
IUPAC Name5-tert-butyl-2-methyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole
SMILESCC1NC(C(F)(F)F)=C(C(C)(C)C)S1
InChIInChI=1S/C9H14F3NS/c1-5-13-6(9(10,11)12)7(14-5)8(2,3)4/h5,13H,1-4H3
InChIKeyKJEFIKAHLUIWQF-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 58359101
2,4-Dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole;ethane
CID 145152017
4-Tert-butyl-2,5-dimethyl-2,3-dihydro-1,3-thiazole
CID 164146297

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole?
The IUPAC name of 5-tert-butyl-2-methyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole (CID 58027289) is 5-tert-butyl-2-methyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 5-tert-butyl-2-methyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 5-tert-butyl-2-methyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole is CC1NC(C(F)(F)F)=C(C(C)(C)C)S1.
What is the InChIKey of 5-tert-butyl-2-methyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole?
The InChIKey is KJEFIKAHLUIWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NS/c1-5-13-6(9(10,11)12)7(14-5)8(2,3)4/h5,13H,1-4H3.
What are the key properties of 5-tert-butyl-2-methyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole?
5-tert-butyl-2-methyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole has a molecular weight of 225.28 g/mol, XLogP of 3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 58027289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).