(1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

C6H7F3N2S — CID 55268358

IUPAC(1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc([C@H](N)C(F)(F)F)cs1
InChIInChI=1S/C6H7F3N2S/c1-3-11-4(2-12-3)5(10)6(7,8)9/h2,5H,10H2,1H3/t5-/m0/s1
InChIKeyNWBLNQLDSSAJHT-YFKPBYRVSA-N
MW196.20 g/mol
LogP2.01
Rot. Bonds1

About (1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

(1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 55268358) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID55268358
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name(1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc([C@H](N)C(F)(F)F)cs1
InChIInChI=1S/C6H7F3N2S/c1-3-11-4(2-12-3)5(10)6(7,8)9/h2,5H,10H2,1H3/t5-/m0/s1
InChIKeyNWBLNQLDSSAJHT-YFKPBYRVSA-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 (1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 55268358) is (1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1nc([C@H](N)C(F)(F)F)cs1.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is NWBLNQLDSSAJHT-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H7F3N2S/c1-3-11-4(2-12-3)5(10)6(7,8)9/h2,5H,10H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
(1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-4-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 (1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 55268358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).