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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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).