2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[4-(trifluoromethoxy)phenyl]ethanol

C15H17F3N2O2S — CID 47053357

IUPAC2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[4-(trifluoromethoxy)phenyl]ethanol
SMILESCc1ncc(CN(C)CC(O)c2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C15H17F3N2O2S/c1-10-19-7-13(23-10)8-20(2)9-14(21)11-3-5-12(6-4-11)22-15(16,17)18/h3-7,14,21H,8-9H2,1-2H3
InChIKeyYLOHGKZYXZXZCK-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.52
Rot. Bonds6

About 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[4-(trifluoromethoxy)phenyl]ethanol

2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 47053357) has the molecular formula C15H17F3N2O2S and a molecular weight of 346.37 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID47053357
Molecular FormulaC15H17F3N2O2S
Molecular Weight346.37 g/mol
Exact Mass346.10
IUPAC Name2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[4-(trifluoromethoxy)phenyl]ethanol
SMILESCc1ncc(CN(C)CC(O)c2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C15H17F3N2O2S/c1-10-19-7-13(23-10)8-20(2)9-14(21)11-3-5-12(6-4-11)22-15(16,17)18/h3-7,14,21H,8-9H2,1-2H3
InChIKeyYLOHGKZYXZXZCK-UHFFFAOYSA-N
XLogP3.52
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[4-(trifluoromethoxy)phenyl]ethanol (CID 47053357) is 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[4-(trifluoromethoxy)phenyl]ethanol is Cc1ncc(CN(C)CC(O)c2ccc(OC(F)(F)F)cc2)s1.
What is the InChIKey of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is YLOHGKZYXZXZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2S/c1-10-19-7-13(23-10)8-20(2)9-14(21)11-3-5-12(6-4-11)22-15(16,17)18/h3-7,14,21H,8-9H2,1-2H3.
What are the key properties of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[4-(trifluoromethoxy)phenyl]ethanol?
2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 346.37 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 47053357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).