(4S)-4-(methylsulfanylmethyl)-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazole

C6H8F3NS2 — CID 174268382

IUPAC(4S)-4-(methylsulfanylmethyl)-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazole
SMILESCSC[C@@H]1N=CSC1C(F)(F)F
InChIInChI=1S/C6H8F3NS2/c1-11-2-4-5(6(7,8)9)12-3-10-4/h3-5H,2H2,1H3/t4-,5?/m0/s1
InChIKeyYWDMJZOPIMZHTF-ROLXFIACSA-N
MW215.27 g/mol
LogP2.42
Rot. Bonds2

About (4S)-4-(methylsulfanylmethyl)-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazole

(4S)-4-(methylsulfanylmethyl)-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazole (PubChem CID 174268382) has the molecular formula C6H8F3NS2 and a molecular weight of 215.27 g/mol. Its IUPAC name is (4S)-4-(methylsulfanylmethyl)-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4S)-4-(methylsulfanylmethyl)-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazole
PubChem CID174268382
Molecular FormulaC6H8F3NS2
Molecular Weight215.27 g/mol
Exact Mass215.01
IUPAC Name(4S)-4-(methylsulfanylmethyl)-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazole
SMILESCSC[C@@H]1N=CSC1C(F)(F)F
InChIInChI=1S/C6H8F3NS2/c1-11-2-4-5(6(7,8)9)12-3-10-4/h3-5H,2H2,1H3/t4-,5?/m0/s1
InChIKeyYWDMJZOPIMZHTF-ROLXFIACSA-N
XLogP2.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methylsulfanylmethyl)-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4S)-4-(methylsulfanylmethyl)-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazole (CID 174268382) is (4S)-4-(methylsulfanylmethyl)-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4S)-4-(methylsulfanylmethyl)-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4S)-4-(methylsulfanylmethyl)-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazole is CSC[C@@H]1N=CSC1C(F)(F)F.
What is the InChIKey of (4S)-4-(methylsulfanylmethyl)-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is YWDMJZOPIMZHTF-ROLXFIACSA-N. The full InChI is InChI=1S/C6H8F3NS2/c1-11-2-4-5(6(7,8)9)12-3-10-4/h3-5H,2H2,1H3/t4-,5?/m0/s1.
What are the key properties of (4S)-4-(methylsulfanylmethyl)-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazole?
(4S)-4-(methylsulfanylmethyl)-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 215.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methylsulfanylmethyl)-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 174268382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).