3,3,3-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-amine

C7H9F3N2S — CID 131073162

IUPAC3,3,3-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-amine
SMILESCc1cc(C(N)CC(F)(F)F)sn1
InChIInChI=1S/C7H9F3N2S/c1-4-2-6(13-12-4)5(11)3-7(8,9)10/h2,5H,3,11H2,1H3
InChIKeyAYKXZIFJVUHNHF-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.40
Rot. Bonds2

About 3,3,3-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-amine

3,3,3-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-amine (PubChem CID 131073162) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-amine
PubChem CID131073162
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Name3,3,3-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-amine
SMILESCc1cc(C(N)CC(F)(F)F)sn1
InChIInChI=1S/C7H9F3N2S/c1-4-2-6(13-12-4)5(11)3-7(8,9)10/h2,5H,3,11H2,1H3
InChIKeyAYKXZIFJVUHNHF-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-amine (CID 131073162) is 3,3,3-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-amine is Cc1cc(C(N)CC(F)(F)F)sn1.
What is the InChIKey of 3,3,3-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-amine?
The InChIKey is AYKXZIFJVUHNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c1-4-2-6(13-12-4)5(11)3-7(8,9)10/h2,5H,3,11H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-amine?
3,3,3-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-amine has a molecular weight of 210.22 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 131073162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).