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

C7H9F3N2S — CID 118931355

IUPAC(1R)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCC[C@@H](N)c1ncc(C(F)(F)F)s1
InChIInChI=1S/C7H9F3N2S/c1-2-4(11)6-12-3-5(13-6)7(8,9)10/h3-4H,2,11H2,1H3/t4-/m1/s1
InChIKeyMGUJQWIRYNCPSL-SCSAIBSYSA-N
MW210.22 g/mol
LogP2.57
Rot. Bonds2

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

(1R)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 118931355) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is (1R)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID118931355
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Name(1R)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCC[C@@H](N)c1ncc(C(F)(F)F)s1
InChIInChI=1S/C7H9F3N2S/c1-2-4(11)6-12-3-5(13-6)7(8,9)10/h3-4H,2,11H2,1H3/t4-/m1/s1
InChIKeyMGUJQWIRYNCPSL-SCSAIBSYSA-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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of (1R)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine (CID 118931355) is (1R)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine is CC[C@@H](N)c1ncc(C(F)(F)F)s1.
What is the InChIKey of (1R)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is MGUJQWIRYNCPSL-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c1-2-4(11)6-12-3-5(13-6)7(8,9)10/h3-4H,2,11H2,1H3/t4-/m1/s1.
What are the key properties of (1R)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
(1R)-1-[5-(trifluoromethyl)-1,3-thiazol-2-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 (1R)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 118931355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).