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

C6H7F3N2OS — CID 79774189

IUPAC5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(COCC(F)(F)F)s1
InChIInChI=1S/C6H7F3N2OS/c7-6(8,9)3-12-2-4-1-11-5(10)13-4/h1H,2-3H2,(H2,10,11)
InChIKeySGUWIRXQRNJMTG-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.80
Rot. Bonds3

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

5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine (PubChem CID 79774189) has the molecular formula C6H7F3N2OS and a molecular weight of 212.20 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine
PubChem CID79774189
Molecular FormulaC6H7F3N2OS
Molecular Weight212.20 g/mol
Exact Mass212.02
IUPAC Name5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(COCC(F)(F)F)s1
InChIInChI=1S/C6H7F3N2OS/c7-6(8,9)3-12-2-4-1-11-5(10)13-4/h1H,2-3H2,(H2,10,11)
InChIKeySGUWIRXQRNJMTG-UHFFFAOYSA-N
XLogP1.80
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine (CID 79774189) is 5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine is Nc1ncc(COCC(F)(F)F)s1.
What is the InChIKey of 5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine?
The InChIKey is SGUWIRXQRNJMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2OS/c7-6(8,9)3-12-2-4-1-11-5(10)13-4/h1H,2-3H2,(H2,10,11).
What are the key properties of 5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine?
5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine has a molecular weight of 212.20 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79774189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).