2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine

C14H17F3N2S — CID 60835878

IUPAC2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C14H17F3N2S/c1-13(2,3)18-7-6-12-19-10-8-9(14(15,16)17)4-5-11(10)20-12/h4-5,8,18H,6-7H2,1-3H3
InChIKeyJHIUJUBLZALZEX-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.25
Rot. Bonds3

About 2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine

2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine (PubChem CID 60835878) has the molecular formula C14H17F3N2S and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine
PubChem CID60835878
Molecular FormulaC14H17F3N2S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C14H17F3N2S/c1-13(2,3)18-7-6-12-19-10-8-9(14(15,16)17)4-5-11(10)20-12/h4-5,8,18H,6-7H2,1-3H3
InChIKeyJHIUJUBLZALZEX-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine (CID 60835878) is 2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine is CC(C)(C)NCCc1nc2cc(C(F)(F)F)ccc2s1.
What is the InChIKey of 2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine?
The InChIKey is JHIUJUBLZALZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2S/c1-13(2,3)18-7-6-12-19-10-8-9(14(15,16)17)4-5-11(10)20-12/h4-5,8,18H,6-7H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine?
2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine has a molecular weight of 302.37 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 60835878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).