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

C11H11F3N2S — CID 84710188

IUPAC2-[2-(trifluoromethyl)-1,3-benzothiazol-5-yl]propan-1-amine
SMILESCC(CN)c1ccc2sc(C(F)(F)F)nc2c1
InChIInChI=1S/C11H11F3N2S/c1-6(5-15)7-2-3-9-8(4-7)16-10(17-9)11(12,13)14/h2-4,6H,5,15H2,1H3
InChIKeyUNQKAEGVYGUSOM-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.38
Rot. Bonds2

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

2-[2-(trifluoromethyl)-1,3-benzothiazol-5-yl]propan-1-amine (PubChem CID 84710188) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-1,3-benzothiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-1,3-benzothiazol-5-yl]propan-1-amine
PubChem CID84710188
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC Name2-[2-(trifluoromethyl)-1,3-benzothiazol-5-yl]propan-1-amine
SMILESCC(CN)c1ccc2sc(C(F)(F)F)nc2c1
InChIInChI=1S/C11H11F3N2S/c1-6(5-15)7-2-3-9-8(4-7)16-10(17-9)11(12,13)14/h2-4,6H,5,15H2,1H3
InChIKeyUNQKAEGVYGUSOM-UHFFFAOYSA-N
XLogP3.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(trifluoromethyl)-1,3-benzothiazol-5-amine
CID 45077489
2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine
CID 84696103
2-(trifluoromethyl)-1,3-benzothiazol-5-ol
CID 84684346
1-[2-(trifluoromethyl)-1,3-benzothiazol-5-yl]ethanone
CID 84704981
(2-tert-butyl-1,3-benzothiazol-5-yl)methanamine
CID 82286426
3-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)propanoic acid
CID 117415560
N,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine
CID 82501389
5-(1-bromoethyl)-1,3-benzothiazol-2-amine
CID 21401463
2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]butan-1-amine
CID 65220738
2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 84628462
2-quinolin-6-ylpropan-1-amine
CID 79002101
2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethanol
CID 84699598

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-1,3-benzothiazol-5-yl]propan-1-amine?
The IUPAC name of 2-[2-(trifluoromethyl)-1,3-benzothiazol-5-yl]propan-1-amine (CID 84710188) is 2-[2-(trifluoromethyl)-1,3-benzothiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(trifluoromethyl)-1,3-benzothiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-[2-(trifluoromethyl)-1,3-benzothiazol-5-yl]propan-1-amine is CC(CN)c1ccc2sc(C(F)(F)F)nc2c1.
What is the InChIKey of 2-[2-(trifluoromethyl)-1,3-benzothiazol-5-yl]propan-1-amine?
The InChIKey is UNQKAEGVYGUSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S/c1-6(5-15)7-2-3-9-8(4-7)16-10(17-9)11(12,13)14/h2-4,6H,5,15H2,1H3.
What are the key properties of 2-[2-(trifluoromethyl)-1,3-benzothiazol-5-yl]propan-1-amine?
2-[2-(trifluoromethyl)-1,3-benzothiazol-5-yl]propan-1-amine has a molecular weight of 260.28 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-1,3-benzothiazol-5-yl]propan-1-amine is sourced from PubChem (CID 84710188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).