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

C8H12F2N2S — CID 84779120

IUPAC1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(C(C)(F)F)s1
InChIInChI=1S/C8H12F2N2S/c1-5(11-3)6-4-12-7(13-6)8(2,9)10/h4-5,11H,1-3H3
InChIKeyMVGAYOXXLPCWKJ-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.54
Rot. Bonds3

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

1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 84779120) has the molecular formula C8H12F2N2S and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID84779120
Molecular FormulaC8H12F2N2S
Molecular Weight206.26 g/mol
Exact Mass206.07
IUPAC Name1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(C(C)(F)F)s1
InChIInChI=1S/C8H12F2N2S/c1-5(11-3)6-4-12-7(13-6)8(2,9)10/h4-5,11H,1-3H3
InChIKeyMVGAYOXXLPCWKJ-UHFFFAOYSA-N
XLogP2.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine (CID 84779120) is 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1cnc(C(C)(F)F)s1.
What is the InChIKey of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is MVGAYOXXLPCWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2S/c1-5(11-3)6-4-12-7(13-6)8(2,9)10/h4-5,11H,1-3H3.
What are the key properties of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 206.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 84779120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).