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

C7H9F3N2S — CID 106782990

IUPAC1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCCC(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H9F3N2S/c1-2-4(11)5-3-12-6(13-5)7(8,9)10/h3-4H,2,11H2,1H3
InChIKeyBZNBIAXVMMMJPZ-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.57
Rot. Bonds2

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

1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 106782990) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID106782990
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCCC(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H9F3N2S/c1-2-4(11)5-3-12-6(13-5)7(8,9)10/h3-4H,2,11H2,1H3
InChIKeyBZNBIAXVMMMJPZ-UHFFFAOYSA-N
XLogP2.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274393
1-(1,3-Thiazol-5-yl)ethan-1-amine
CID 19817653
1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 24278428
1-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274392
(1R)-1-(1,3-thiazol-5-yl)ethan-1-amine dihydrochloride
CID 71758389
Methyl(1-(1,3-thiazol-5-yl)propan-2-yl)amine
CID 112642809
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine hydrochloride
CID 122163992
1-(1,3-Thiazol-5-yl)ethan-1-amine dihydrochloride
CID 137701377
1-(2-Chlorothiazol-5-YL)ethan-1-amine hydrochloride
CID 165721377
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine
CID 19767930
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 58629032
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (CID 106782990) is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is CCC(N)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is BZNBIAXVMMMJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c1-2-4(11)5-3-12-6(13-5)7(8,9)10/h3-4H,2,11H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 210.22 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 106782990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).