2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane

C12H21F2N3S — CID 144898616

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane
SMILESCC.NCC(c1cscn1)N1CCC(F)(F)CC1
InChIInChI=1S/C10H15F2N3S.C2H6/c11-10(12)1-3-15(4-2-10)9(5-13)8-6-16-7-14-8;1-2/h6-7,9H,1-5,13H2;1-2H3
InChIKeyVHLPSCRNQYDXOL-UHFFFAOYSA-N
MW277.38 g/mol
LogP2.90
Rot. Bonds3

About 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane

2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane (PubChem CID 144898616) has the molecular formula C12H21F2N3S and a molecular weight of 277.38 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane
PubChem CID144898616
Molecular FormulaC12H21F2N3S
Molecular Weight277.38 g/mol
Exact Mass277.14
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane
SMILESCC.NCC(c1cscn1)N1CCC(F)(F)CC1
InChIInChI=1S/C10H15F2N3S.C2H6/c11-10(12)1-3-15(4-2-10)9(5-13)8-6-16-7-14-8;1-2/h6-7,9H,1-5,13H2;1-2H3
InChIKeyVHLPSCRNQYDXOL-UHFFFAOYSA-N
XLogP2.90
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane (CID 144898616) is 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane is CC.NCC(c1cscn1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane?
The InChIKey is VHLPSCRNQYDXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3S.C2H6/c11-10(12)1-3-15(4-2-10)9(5-13)8-6-16-7-14-8;1-2/h6-7,9H,1-5,13H2;1-2H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane?
2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane has a molecular weight of 277.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane is sourced from PubChem (CID 144898616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).