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

C6H7F3N2S — CID 61337418

IUPAC1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H7F3N2S/c1-3(10)5-11-4(2-12-5)6(7,8)9/h2-3H,10H2,1H3
InChIKeyDQIGJGIEPDJZDR-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.18
Rot. Bonds1

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

1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 61337418) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID61337418
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H7F3N2S/c1-3(10)5-11-4(2-12-5)6(7,8)9/h2-3H,10H2,1H3
InChIKeyDQIGJGIEPDJZDR-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine (CID 61337418) is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is DQIGJGIEPDJZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c1-3(10)5-11-4(2-12-5)6(7,8)9/h2-3H,10H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine?
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 196.20 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 61337418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).