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

C13H13F3N2OS — CID 61282088

IUPAC1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2ccccc2OC(F)(F)F)sc1C(C)N
InChIInChI=1S/C13H13F3N2OS/c1-7(17)11-8(2)18-12(20-11)9-5-3-4-6-10(9)19-13(14,15)16/h3-7H,17H2,1-2H3
InChIKeyLIUVALVHKFUHRH-UHFFFAOYSA-N
MW302.32 g/mol
LogP4.04
Rot. Bonds3

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

1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 61282088) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is 1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine
PubChem CID61282088
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC Name1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2ccccc2OC(F)(F)F)sc1C(C)N
InChIInChI=1S/C13H13F3N2OS/c1-7(17)11-8(2)18-12(20-11)9-5-3-4-6-10(9)19-13(14,15)16/h3-7H,17H2,1-2H3
InChIKeyLIUVALVHKFUHRH-UHFFFAOYSA-N
XLogP4.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine (CID 61282088) is 1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine is Cc1nc(-c2ccccc2OC(F)(F)F)sc1C(C)N.
What is the InChIKey of 1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is LIUVALVHKFUHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c1-7(17)11-8(2)18-12(20-11)9-5-3-4-6-10(9)19-13(14,15)16/h3-7H,17H2,1-2H3.
What are the key properties of 1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine?
1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 302.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 61282088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).