(4S)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol

C11H10F3NOS — CID 7746210

IUPAC(4S)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol
SMILESO[C@@]1(C(F)(F)F)CSC(Cc2ccccc2)=N1
InChIInChI=1S/C11H10F3NOS/c12-11(13,14)10(16)7-17-9(15-10)6-8-4-2-1-3-5-8/h1-5,16H,6-7H2/t10-/m1/s1
InChIKeyRPAFFOCDCPKJJN-SNVBAGLBSA-N
MW261.27 g/mol
LogP2.63
Rot. Bonds2

About (4S)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol

(4S)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol (PubChem CID 7746210) has the molecular formula C11H10F3NOS and a molecular weight of 261.27 g/mol. Its IUPAC name is (4S)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol.

Molecular Properties

Compound Name(4S)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol
PubChem CID7746210
Molecular FormulaC11H10F3NOS
Molecular Weight261.27 g/mol
Exact Mass261.04
IUPAC Name(4S)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol
SMILESO[C@@]1(C(F)(F)F)CSC(Cc2ccccc2)=N1
InChIInChI=1S/C11H10F3NOS/c12-11(13,14)10(16)7-17-9(15-10)6-8-4-2-1-3-5-8/h1-5,16H,6-7H2/t10-/m1/s1
InChIKeyRPAFFOCDCPKJJN-SNVBAGLBSA-N
XLogP2.63
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol?
The IUPAC name of (4S)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol (CID 7746210) is (4S)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol.
What is the SMILES notation for (4S)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol?
The canonical SMILES for (4S)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol is O[C@@]1(C(F)(F)F)CSC(Cc2ccccc2)=N1.
What is the InChIKey of (4S)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol?
The InChIKey is RPAFFOCDCPKJJN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H10F3NOS/c12-11(13,14)10(16)7-17-9(15-10)6-8-4-2-1-3-5-8/h1-5,16H,6-7H2/t10-/m1/s1.
What are the key properties of (4S)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol?
(4S)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol has a molecular weight of 261.27 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol is sourced from PubChem (CID 7746210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).