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

C10H16F2N2S — CID 84797021

IUPAC3-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1nc(C)c(C(C)(F)F)s1
InChIInChI=1S/C10H16F2N2S/c1-7-9(10(2,11)12)15-8(14-7)5-4-6-13-3/h13H,4-6H2,1-3H3
InChIKeyYFOGPHIXTRFPJM-UHFFFAOYSA-N
MW234.31 g/mol
LogP2.72
Rot. Bonds5

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

3-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-1-amine (PubChem CID 84797021) has the molecular formula C10H16F2N2S and a molecular weight of 234.31 g/mol. Its IUPAC name is 3-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-1-amine
PubChem CID84797021
Molecular FormulaC10H16F2N2S
Molecular Weight234.31 g/mol
Exact Mass234.10
IUPAC Name3-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1nc(C)c(C(C)(F)F)s1
InChIInChI=1S/C10H16F2N2S/c1-7-9(10(2,11)12)15-8(14-7)5-4-6-13-3/h13H,4-6H2,1-3H3
InChIKeyYFOGPHIXTRFPJM-UHFFFAOYSA-N
XLogP2.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-1-amine (CID 84797021) is 3-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-1-amine is CNCCCc1nc(C)c(C(C)(F)F)s1.
What is the InChIKey of 3-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is YFOGPHIXTRFPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2S/c1-7-9(10(2,11)12)15-8(14-7)5-4-6-13-3/h13H,4-6H2,1-3H3.
What are the key properties of 3-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
3-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 234.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 84797021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).