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

C6H7F3N2S — CID 50987741

IUPAC2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(C(N)C(F)(F)F)n1
InChIInChI=1S/C6H7F3N2S/c1-3-2-12-5(11-3)4(10)6(7,8)9/h2,4H,10H2,1H3
InChIKeySUPJEZHLZHSOJF-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.01
Rot. Bonds1

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

2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 50987741) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID50987741
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(C(N)C(F)(F)F)n1
InChIInChI=1S/C6H7F3N2S/c1-3-2-12-5(11-3)4(10)6(7,8)9/h2,4H,10H2,1H3
InChIKeySUPJEZHLZHSOJF-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-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 50987741) is 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(C(N)C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is SUPJEZHLZHSOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c1-3-2-12-5(11-3)4(10)6(7,8)9/h2,4H,10H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-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-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 50987741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).