[5-[1-(4,4-difluoropiperidin-1-yl)-2-(methylamino)ethyl]-1,3-thiazol-2-yl]methanol

C12H19F2N3OS — CID 134404920

IUPAC[5-[1-(4,4-difluoropiperidin-1-yl)-2-(methylamino)ethyl]-1,3-thiazol-2-yl]methanol
SMILESCNCC(c1cnc(CO)s1)N1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2N3OS/c1-15-6-9(10-7-16-11(8-18)19-10)17-4-2-12(13,14)3-5-17/h7,9,15,18H,2-6,8H2,1H3
InChIKeyJFLIBDWEQLVOKB-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.63
Rot. Bonds5

About [5-[1-(4,4-difluoropiperidin-1-yl)-2-(methylamino)ethyl]-1,3-thiazol-2-yl]methanol

[5-[1-(4,4-difluoropiperidin-1-yl)-2-(methylamino)ethyl]-1,3-thiazol-2-yl]methanol (PubChem CID 134404920) has the molecular formula C12H19F2N3OS and a molecular weight of 291.37 g/mol. Its IUPAC name is [5-[1-(4,4-difluoropiperidin-1-yl)-2-(methylamino)ethyl]-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-[1-(4,4-difluoropiperidin-1-yl)-2-(methylamino)ethyl]-1,3-thiazol-2-yl]methanol
PubChem CID134404920
Molecular FormulaC12H19F2N3OS
Molecular Weight291.37 g/mol
Exact Mass291.12
IUPAC Name[5-[1-(4,4-difluoropiperidin-1-yl)-2-(methylamino)ethyl]-1,3-thiazol-2-yl]methanol
SMILESCNCC(c1cnc(CO)s1)N1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2N3OS/c1-15-6-9(10-7-16-11(8-18)19-10)17-4-2-12(13,14)3-5-17/h7,9,15,18H,2-6,8H2,1H3
InChIKeyJFLIBDWEQLVOKB-UHFFFAOYSA-N
XLogP1.63
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[1-(4,4-difluoropiperidin-1-yl)-2-(methylamino)ethyl]-1,3-thiazol-2-yl]methanol?
The IUPAC name of [5-[1-(4,4-difluoropiperidin-1-yl)-2-(methylamino)ethyl]-1,3-thiazol-2-yl]methanol (CID 134404920) is [5-[1-(4,4-difluoropiperidin-1-yl)-2-(methylamino)ethyl]-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [5-[1-(4,4-difluoropiperidin-1-yl)-2-(methylamino)ethyl]-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [5-[1-(4,4-difluoropiperidin-1-yl)-2-(methylamino)ethyl]-1,3-thiazol-2-yl]methanol is CNCC(c1cnc(CO)s1)N1CCC(F)(F)CC1.
What is the InChIKey of [5-[1-(4,4-difluoropiperidin-1-yl)-2-(methylamino)ethyl]-1,3-thiazol-2-yl]methanol?
The InChIKey is JFLIBDWEQLVOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3OS/c1-15-6-9(10-7-16-11(8-18)19-10)17-4-2-12(13,14)3-5-17/h7,9,15,18H,2-6,8H2,1H3.
What are the key properties of [5-[1-(4,4-difluoropiperidin-1-yl)-2-(methylamino)ethyl]-1,3-thiazol-2-yl]methanol?
[5-[1-(4,4-difluoropiperidin-1-yl)-2-(methylamino)ethyl]-1,3-thiazol-2-yl]methanol has a molecular weight of 291.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(4,4-difluoropiperidin-1-yl)-2-(methylamino)ethyl]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 134404920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).