1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine

C9H14F2N2S — CID 84787487

IUPAC1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nc(C)c(C(C)(F)F)s1
InChIInChI=1S/C9H14F2N2S/c1-5-7(9(3,10)11)14-8(13-5)6(2)12-4/h6,12H,1-4H3
InChIKeyUHNXQLUCANCIPE-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.84
Rot. Bonds3

About 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine

1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 84787487) has the molecular formula C9H14F2N2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID84787487
Molecular FormulaC9H14F2N2S
Molecular Weight220.29 g/mol
Exact Mass220.08
IUPAC Name1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nc(C)c(C(C)(F)F)s1
InChIInChI=1S/C9H14F2N2S/c1-5-7(9(3,10)11)14-8(13-5)6(2)12-4/h6,12H,1-4H3
InChIKeyUHNXQLUCANCIPE-UHFFFAOYSA-N
XLogP2.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine (CID 84787487) is 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine is CNC(C)c1nc(C)c(C(C)(F)F)s1.
What is the InChIKey of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is UHNXQLUCANCIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2S/c1-5-7(9(3,10)11)14-8(13-5)6(2)12-4/h6,12H,1-4H3.
What are the key properties of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine?
1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 220.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 84787487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).