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

C8H12F2N2S — CID 84779118

IUPAC2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1cnc(C(C)(F)F)s1
InChIInChI=1S/C8H12F2N2S/c1-8(9,10)7-12-5-6(13-7)3-4-11-2/h5,11H,3-4H2,1-2H3
InChIKeyNPIZFQFGTZFDCG-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.02
Rot. Bonds4

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

2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 84779118) has the molecular formula C8H12F2N2S and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID84779118
Molecular FormulaC8H12F2N2S
Molecular Weight206.26 g/mol
Exact Mass206.07
IUPAC Name2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1cnc(C(C)(F)F)s1
InChIInChI=1S/C8H12F2N2S/c1-8(9,10)7-12-5-6(13-7)3-4-11-2/h5,11H,3-4H2,1-2H3
InChIKeyNPIZFQFGTZFDCG-UHFFFAOYSA-N
XLogP2.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.02
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]-N-methylethanamine?
The IUPAC name of 2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine (CID 84779118) is 2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine is CNCCc1cnc(C(C)(F)F)s1.
What is the InChIKey of 2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is NPIZFQFGTZFDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2S/c1-8(9,10)7-12-5-6(13-7)3-4-11-2/h5,11H,3-4H2,1-2H3.
What are the key properties of 2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 206.26 g/mol, XLogP of 2.02, 4 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]-N-methylethanamine is sourced from PubChem (CID 84779118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).