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

C6H7F3N2S — CID 130632421

IUPAC3,3,3-trifluoro-1-(1,2-thiazol-3-yl)propan-1-amine
SMILESNC(CC(F)(F)F)c1ccsn1
InChIInChI=1S/C6H7F3N2S/c7-6(8,9)3-4(10)5-1-2-12-11-5/h1-2,4H,3,10H2
InChIKeyNQUSNUIIGSABIH-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.10
Rot. Bonds2

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

3,3,3-trifluoro-1-(1,2-thiazol-3-yl)propan-1-amine (PubChem CID 130632421) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(1,2-thiazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(1,2-thiazol-3-yl)propan-1-amine
PubChem CID130632421
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name3,3,3-trifluoro-1-(1,2-thiazol-3-yl)propan-1-amine
SMILESNC(CC(F)(F)F)c1ccsn1
InChIInChI=1S/C6H7F3N2S/c7-6(8,9)3-4(10)5-1-2-12-11-5/h1-2,4H,3,10H2
InChIKeyNQUSNUIIGSABIH-UHFFFAOYSA-N
XLogP2.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.10
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-(1,2-thiazol-3-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(1,2-thiazol-3-yl)propan-1-amine (CID 130632421) is 3,3,3-trifluoro-1-(1,2-thiazol-3-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(1,2-thiazol-3-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(1,2-thiazol-3-yl)propan-1-amine is NC(CC(F)(F)F)c1ccsn1.
What is the InChIKey of 3,3,3-trifluoro-1-(1,2-thiazol-3-yl)propan-1-amine?
The InChIKey is NQUSNUIIGSABIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c7-6(8,9)3-4(10)5-1-2-12-11-5/h1-2,4H,3,10H2.
What are the key properties of 3,3,3-trifluoro-1-(1,2-thiazol-3-yl)propan-1-amine?
3,3,3-trifluoro-1-(1,2-thiazol-3-yl)propan-1-amine has a molecular weight of 196.20 g/mol, XLogP of 2.10, 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-(1,2-thiazol-3-yl)propan-1-amine is sourced from PubChem (CID 130632421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).