2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanamine

C7H10F2N2S — CID 84772381

IUPAC2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(F)(F)c1ncc(CCN)s1
InChIInChI=1S/C7H10F2N2S/c1-7(8,9)6-11-4-5(12-6)2-3-10/h4H,2-3,10H2,1H3
InChIKeyMHRFWUWJQLGRQT-UHFFFAOYSA-N
MW192.23 g/mol
LogP1.76
Rot. Bonds3

About 2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanamine

2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 84772381) has the molecular formula C7H10F2N2S and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID84772381
Molecular FormulaC7H10F2N2S
Molecular Weight192.23 g/mol
Exact Mass192.05
IUPAC Name2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(F)(F)c1ncc(CCN)s1
InChIInChI=1S/C7H10F2N2S/c1-7(8,9)6-11-4-5(12-6)2-3-10/h4H,2-3,10H2,1H3
InChIKeyMHRFWUWJQLGRQT-UHFFFAOYSA-N
XLogP1.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanamine (CID 84772381) is 2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanamine is CC(F)(F)c1ncc(CCN)s1.
What is the InChIKey of 2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is MHRFWUWJQLGRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2S/c1-7(8,9)6-11-4-5(12-6)2-3-10/h4H,2-3,10H2,1H3.
What are the key properties of 2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanamine?
2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 192.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 84772381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).