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

C8H12F3NS — CID 137470834

IUPAC(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole
SMILESCC(C)(C)C1=N[C@@H](C(F)(F)F)CS1
InChIInChI=1S/C8H12F3NS/c1-7(2,3)6-12-5(4-13-6)8(9,10)11/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyFEPGRYCYVUMURM-RXMQYKEDSA-N
MW211.25 g/mol
LogP3.11
Rot. Bonds

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

(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole (PubChem CID 137470834) has the molecular formula C8H12F3NS and a molecular weight of 211.25 g/mol. Its IUPAC name is (4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole
PubChem CID137470834
Molecular FormulaC8H12F3NS
Molecular Weight211.25 g/mol
Exact Mass211.06
IUPAC Name(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole
SMILESCC(C)(C)C1=N[C@@H](C(F)(F)F)CS1
InChIInChI=1S/C8H12F3NS/c1-7(2,3)6-12-5(4-13-6)8(9,10)11/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyFEPGRYCYVUMURM-RXMQYKEDSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole (CID 137470834) is (4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole is CC(C)(C)C1=N[C@@H](C(F)(F)F)CS1.
What is the InChIKey of (4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is FEPGRYCYVUMURM-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12F3NS/c1-7(2,3)6-12-5(4-13-6)8(9,10)11/h5H,4H2,1-3H3/t5-/m1/s1.
What are the key properties of (4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole?
(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 211.25 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 137470834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).