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

C9H14F2N2S — CID 84787496

IUPAC1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1cnc(C(C)(F)F)s1
InChIInChI=1S/C9H14F2N2S/c1-6(12-3)4-7-5-13-8(14-7)9(2,10)11/h5-6,12H,4H2,1-3H3
InChIKeyHXOSKWLWAMCILL-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.41
Rot. Bonds4

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

1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine (PubChem CID 84787496) has the molecular formula C9H14F2N2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
PubChem CID84787496
Molecular FormulaC9H14F2N2S
Molecular Weight220.29 g/mol
Exact Mass220.08
IUPAC Name1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1cnc(C(C)(F)F)s1
InChIInChI=1S/C9H14F2N2S/c1-6(12-3)4-7-5-13-8(14-7)9(2,10)11/h5-6,12H,4H2,1-3H3
InChIKeyHXOSKWLWAMCILL-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

2,5-Dipropylthiazole
CID 588151
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2-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 53719096
Methyl(1-(1,3-thiazol-5-yl)propan-2-yl)amine
CID 112642809
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine hydrochloride
CID 122163992
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine
CID 19767930
5-Methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole
CID 20725638
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
2-Fluoro-5-propyl-1,3-thiazole
CID 89006935
1-Methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721483
2-(4,4-Difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 118297235
2-(4,4-Difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 118302995

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine (CID 84787496) is 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine is CNC(C)Cc1cnc(C(C)(F)F)s1.
What is the InChIKey of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine?
The InChIKey is HXOSKWLWAMCILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2S/c1-6(12-3)4-7-5-13-8(14-7)9(2,10)11/h5-6,12H,4H2,1-3H3.
What are the key properties of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine?
1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-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-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 84787496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).