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

C7H10F2N2S — CID 84772384

IUPAC2-[2-(difluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1cnc(C(F)F)s1
InChIInChI=1S/C7H10F2N2S/c1-10-3-2-5-4-11-7(12-5)6(8)9/h4,6,10H,2-3H2,1H3
InChIKeyIFGPAPZOVMIALJ-UHFFFAOYSA-N
MW192.23 g/mol
LogP1.84
Rot. Bonds4

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

2-[2-(difluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 84772384) has the molecular formula C7H10F2N2S and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID84772384
Molecular FormulaC7H10F2N2S
Molecular Weight192.23 g/mol
Exact Mass192.05
IUPAC Name2-[2-(difluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1cnc(C(F)F)s1
InChIInChI=1S/C7H10F2N2S/c1-10-3-2-5-4-11-7(12-5)6(8)9/h4,6,10H,2-3H2,1H3
InChIKeyIFGPAPZOVMIALJ-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84766700
2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine
CID 115091633
3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol
CID 115091792
3-[5-(difluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
CID 84779111
N-methyl-2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089980
N-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089835
3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115694089
2-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115089963
N-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 115089840
N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine
CID 115091707
N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282504
N-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 115090126

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine (CID 84772384) is 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine is CNCCc1cnc(C(F)F)s1.
What is the InChIKey of 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is IFGPAPZOVMIALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2S/c1-10-3-2-5-4-11-7(12-5)6(8)9/h4,6,10H,2-3H2,1H3.
What are the key properties of 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
2-[2-(difluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 192.23 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 84772384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).