[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine

C6H7F3N2S — CID 61392586

IUPAC[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(CC(F)(F)F)s1
InChIInChI=1S/C6H7F3N2S/c7-6(8,9)1-5-11-3-4(2-10)12-5/h3H,1-2,10H2
InChIKeyMFRSNSSHBFUBEM-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.71
Rot. Bonds2

About [2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine

[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 61392586) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID61392586
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(CC(F)(F)F)s1
InChIInChI=1S/C6H7F3N2S/c7-6(8,9)1-5-11-3-4(2-10)12-5/h3H,1-2,10H2
InChIKeyMFRSNSSHBFUBEM-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine (CID 61392586) is [2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine is NCc1cnc(CC(F)(F)F)s1.
What is the InChIKey of [2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is MFRSNSSHBFUBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c7-6(8,9)1-5-11-3-4(2-10)12-5/h3H,1-2,10H2.
What are the key properties of [2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine?
[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 196.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 61392586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).