[4-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol

C12H8F6N2OS — CID 58496151

IUPAC[4-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Nc2cccc(C(F)(F)F)c2)nc1C(F)(F)F
InChIInChI=1S/C12H8F6N2OS/c13-11(14,15)6-2-1-3-7(4-6)19-10-20-9(12(16,17)18)8(5-21)22-10/h1-4,21H,5H2,(H,19,20)
InChIKeyNVLRIMIJUKPKLB-UHFFFAOYSA-N
MW342.26 g/mol
LogP4.42
Rot. Bonds3

About [4-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol

[4-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol (PubChem CID 58496151) has the molecular formula C12H8F6N2OS and a molecular weight of 342.26 g/mol. Its IUPAC name is [4-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol
PubChem CID58496151
Molecular FormulaC12H8F6N2OS
Molecular Weight342.26 g/mol
Exact Mass342.03
IUPAC Name[4-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Nc2cccc(C(F)(F)F)c2)nc1C(F)(F)F
InChIInChI=1S/C12H8F6N2OS/c13-11(14,15)6-2-1-3-7(4-6)19-10-20-9(12(16,17)18)8(5-21)22-10/h1-4,21H,5H2,(H,19,20)
InChIKeyNVLRIMIJUKPKLB-UHFFFAOYSA-N
XLogP4.42
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol (CID 58496151) is [4-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol is OCc1sc(Nc2cccc(C(F)(F)F)c2)nc1C(F)(F)F.
What is the InChIKey of [4-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol?
The InChIKey is NVLRIMIJUKPKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6N2OS/c13-11(14,15)6-2-1-3-7(4-6)19-10-20-9(12(16,17)18)8(5-21)22-10/h1-4,21H,5H2,(H,19,20).
What are the key properties of [4-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol?
[4-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol has a molecular weight of 342.26 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 58496151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).