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

C6H7F3N2S — CID 131084688

IUPAC2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanamine
SMILESCc1cc(C(N)C(F)(F)F)sn1
InChIInChI=1S/C6H7F3N2S/c1-3-2-4(12-11-3)5(10)6(7,8)9/h2,5H,10H2,1H3
InChIKeyLIJUMRXAQSBYIO-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.01
Rot. Bonds1

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

2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanamine (PubChem CID 131084688) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanamine
PubChem CID131084688
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanamine
SMILESCc1cc(C(N)C(F)(F)F)sn1
InChIInChI=1S/C6H7F3N2S/c1-3-2-4(12-11-3)5(10)6(7,8)9/h2,5H,10H2,1H3
InChIKeyLIJUMRXAQSBYIO-UHFFFAOYSA-N
XLogP2.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanamine (CID 131084688) is 2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanamine is Cc1cc(C(N)C(F)(F)F)sn1.
What is the InChIKey of 2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanamine?
The InChIKey is LIJUMRXAQSBYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c1-3-2-4(12-11-3)5(10)6(7,8)9/h2,5H,10H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanamine?
2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanamine has a molecular weight of 196.20 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanamine is sourced from PubChem (CID 131084688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).