2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine

C6H7F3N2S — CID 4033439

IUPAC2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H7F3N2S/c7-6(8,9)4-3-12-5(11-4)1-2-10/h3H,1-2,10H2
InChIKeyUUQGMRVOPDQCHI-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.66
Rot. Bonds2

About 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine

2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 4033439) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID4033439
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H7F3N2S/c7-6(8,9)4-3-12-5(11-4)1-2-10/h3H,1-2,10H2
InChIKeyUUQGMRVOPDQCHI-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine (CID 4033439) is 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine is NCCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is UUQGMRVOPDQCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c7-6(8,9)4-3-12-5(11-4)1-2-10/h3H,1-2,10H2.
What are the key properties of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 196.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 4033439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).