2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C7H10F2N2S — CID 61281215

IUPAC2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CNCC(F)F)s1
InChIInChI=1S/C7H10F2N2S/c1-5-11-3-6(12-5)2-10-4-7(8)9/h3,7,10H,2,4H2,1H3
InChIKeyJLFUVTGUGHKZBJ-UHFFFAOYSA-N
MW192.23 g/mol
LogP1.81
Rot. Bonds4

About 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine

2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 61281215) has the molecular formula C7H10F2N2S and a molecular weight of 192.23 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID61281215
Molecular FormulaC7H10F2N2S
Molecular Weight192.23 g/mol
Exact Mass192.05
IUPAC Name2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CNCC(F)F)s1
InChIInChI=1S/C7H10F2N2S/c1-5-11-3-6(12-5)2-10-4-7(8)9/h3,7,10H,2,4H2,1H3
InChIKeyJLFUVTGUGHKZBJ-UHFFFAOYSA-N
XLogP1.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 61281215) is 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is Cc1ncc(CNCC(F)F)s1.
What is the InChIKey of 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is JLFUVTGUGHKZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2S/c1-5-11-3-6(12-5)2-10-4-7(8)9/h3,7,10H,2,4H2,1H3.
What are the key properties of 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 192.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 61281215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).