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

C9H14F2N2S — CID 84787492

IUPAC1-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ncc(C(C)(F)F)s1
InChIInChI=1S/C9H14F2N2S/c1-6(12-3)4-8-13-5-7(14-8)9(2,10)11/h5-6,12H,4H2,1-3H3
InChIKeyTUPZYDCEICQGHO-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.41
Rot. Bonds4

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

1-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine (PubChem CID 84787492) has the molecular formula C9H14F2N2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
PubChem CID84787492
Molecular FormulaC9H14F2N2S
Molecular Weight220.29 g/mol
Exact Mass220.08
IUPAC Name1-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ncc(C(C)(F)F)s1
InChIInChI=1S/C9H14F2N2S/c1-6(12-3)4-8-13-5-7(14-8)9(2,10)11/h5-6,12H,4H2,1-3H3
InChIKeyTUPZYDCEICQGHO-UHFFFAOYSA-N
XLogP2.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine
CID 106784185
2-bromo-5-(1,1-difluoroethyl)-1,3-thiazole
CID 84792019
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 84795515
N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115089837
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 64989566
N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 130637982
1-(5-tert-butyl-1H-pyrazol-4-yl)-N-methylpropan-2-amine
CID 105449531
1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol
CID 130617285
1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84766702
N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115090699
N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 115090839
[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 167734686

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine (CID 84787492) is 1-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine is CNC(C)Cc1ncc(C(C)(F)F)s1.
What is the InChIKey of 1-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
The InChIKey is TUPZYDCEICQGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2S/c1-6(12-3)4-8-13-5-7(14-8)9(2,10)11/h5-6,12H,4H2,1-3H3.
What are the key properties of 1-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
1-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine has a molecular weight of 220.29 g/mol, XLogP of 2.41, 4 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)-1,3-thiazol-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 84787492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).