N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine

C8H11F3N2OS — CID 79774190

IUPACN-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(COCC(F)(F)F)s1
InChIInChI=1S/C8H11F3N2OS/c1-2-12-7-13-3-6(15-7)4-14-5-8(9,10)11/h3H,2,4-5H2,1H3,(H,12,13)
InChIKeyJGHCNWQKXGDMPN-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.65
Rot. Bonds5

About N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine

N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine (PubChem CID 79774190) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine
PubChem CID79774190
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC NameN-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(COCC(F)(F)F)s1
InChIInChI=1S/C8H11F3N2OS/c1-2-12-7-13-3-6(15-7)4-14-5-8(9,10)11/h3H,2,4-5H2,1H3,(H,12,13)
InChIKeyJGHCNWQKXGDMPN-UHFFFAOYSA-N
XLogP2.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine (CID 79774190) is N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine is CCNc1ncc(COCC(F)(F)F)s1.
What is the InChIKey of N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine?
The InChIKey is JGHCNWQKXGDMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-2-12-7-13-3-6(15-7)4-14-5-8(9,10)11/h3H,2,4-5H2,1H3,(H,12,13).
What are the key properties of N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine?
N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine has a molecular weight of 240.25 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79774190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).