4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C7H9F3N2S — CID 62962992

IUPAC4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCc1csc(NCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2S/c1-2-5-3-13-6(12-5)11-4-7(8,9)10/h3H,2,4H2,1H3,(H,11,12)
InChIKeyQBARXNUHTGDCHX-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.68
Rot. Bonds3

About 4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62962992) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62962992
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Name4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCc1csc(NCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2S/c1-2-5-3-13-6(12-5)11-4-7(8,9)10/h3H,2,4H2,1H3,(H,11,12)
InChIKeyQBARXNUHTGDCHX-UHFFFAOYSA-N
XLogP2.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62962992) is 4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCc1csc(NCC(F)(F)F)n1.
What is the InChIKey of 4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is QBARXNUHTGDCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c1-2-5-3-13-6(12-5)11-4-7(8,9)10/h3H,2,4H2,1H3,(H,11,12).
What are the key properties of 4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 210.22 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62962992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).