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

C6H7F3N2S — CID 82399846

IUPAC1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESNC(Cc1cncs1)C(F)(F)F
InChIInChI=1S/C6H7F3N2S/c7-6(8,9)5(10)1-4-2-11-3-12-4/h2-3,5H,1,10H2
InChIKeyXJDOUFYPSKEVTG-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.58
Rot. Bonds2

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

1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-amine (PubChem CID 82399846) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-amine
PubChem CID82399846
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESNC(Cc1cncs1)C(F)(F)F
InChIInChI=1S/C6H7F3N2S/c7-6(8,9)5(10)1-4-2-11-3-12-4/h2-3,5H,1,10H2
InChIKeyXJDOUFYPSKEVTG-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-amine (CID 82399846) is 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-amine is NC(Cc1cncs1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is XJDOUFYPSKEVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c7-6(8,9)5(10)1-4-2-11-3-12-4/h2-3,5H,1,10H2.
What are the key properties of 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-amine?
1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 196.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 82399846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).