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

C15H17F3N2OS — CID 94391534

IUPAC(1R)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCc1ncc(CN(C)C[C@H](O)c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H17F3N2OS/c1-10-19-7-13(22-10)8-20(2)9-14(21)11-4-3-5-12(6-11)15(16,17)18/h3-7,14,21H,8-9H2,1-2H3/t14-/m0/s1
InChIKeyKPFGGSRDWWZYMH-AWEZNQCLSA-N
MW330.38 g/mol
LogP3.64
Rot. Bonds5

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

(1R)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 94391534) has the molecular formula C15H17F3N2OS and a molecular weight of 330.38 g/mol. Its IUPAC name is (1R)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID94391534
Molecular FormulaC15H17F3N2OS
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name(1R)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCc1ncc(CN(C)C[C@H](O)c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H17F3N2OS/c1-10-19-7-13(22-10)8-20(2)9-14(21)11-4-3-5-12(6-11)15(16,17)18/h3-7,14,21H,8-9H2,1-2H3/t14-/m0/s1
InChIKeyKPFGGSRDWWZYMH-AWEZNQCLSA-N
XLogP3.64
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1R)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol (CID 94391534) is (1R)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1R)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1R)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol is Cc1ncc(CN(C)C[C@H](O)c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of (1R)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is KPFGGSRDWWZYMH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17F3N2OS/c1-10-19-7-13(22-10)8-20(2)9-14(21)11-4-3-5-12(6-11)15(16,17)18/h3-7,14,21H,8-9H2,1-2H3/t14-/m0/s1.
What are the key properties of (1R)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
(1R)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 330.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 94391534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).