[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine

C7H9F3N2S — CID 105463808

IUPAC[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
SMILESCCc1sc(CN)nc1C(F)(F)F
InChIInChI=1S/C7H9F3N2S/c1-2-4-6(7(8,9)10)12-5(3-11)13-4/h2-3,11H2,1H3
InChIKeyVUAFIAWSZJXJHW-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.18
Rot. Bonds2

About [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine

[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 105463808) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID105463808
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Name[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
SMILESCCc1sc(CN)nc1C(F)(F)F
InChIInChI=1S/C7H9F3N2S/c1-2-4-6(7(8,9)10)12-5(3-11)13-4/h2-3,11H2,1H3
InChIKeyVUAFIAWSZJXJHW-UHFFFAOYSA-N
XLogP2.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine (CID 105463808) is [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine is CCc1sc(CN)nc1C(F)(F)F.
What is the InChIKey of [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is VUAFIAWSZJXJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c1-2-4-6(7(8,9)10)12-5(3-11)13-4/h2-3,11H2,1H3.
What are the key properties of [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 210.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 105463808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).