2-[2,2-difluoroethyl(1,3-thiazol-5-ylmethyl)amino]ethanol

C8H12F2N2OS — CID 107485139

IUPAC2-[2,2-difluoroethyl(1,3-thiazol-5-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cncs1)CC(F)F
InChIInChI=1S/C8H12F2N2OS/c9-8(10)5-12(1-2-13)4-7-3-11-6-14-7/h3,6,8,13H,1-2,4-5H2
InChIKeyFZRSXRARLPKXJL-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.20
Rot. Bonds6

About 2-[2,2-difluoroethyl(1,3-thiazol-5-ylmethyl)amino]ethanol

2-[2,2-difluoroethyl(1,3-thiazol-5-ylmethyl)amino]ethanol (PubChem CID 107485139) has the molecular formula C8H12F2N2OS and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(1,3-thiazol-5-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(1,3-thiazol-5-ylmethyl)amino]ethanol
PubChem CID107485139
Molecular FormulaC8H12F2N2OS
Molecular Weight222.26 g/mol
Exact Mass222.06
IUPAC Name2-[2,2-difluoroethyl(1,3-thiazol-5-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cncs1)CC(F)F
InChIInChI=1S/C8H12F2N2OS/c9-8(10)5-12(1-2-13)4-7-3-11-6-14-7/h3,6,8,13H,1-2,4-5H2
InChIKeyFZRSXRARLPKXJL-UHFFFAOYSA-N
XLogP1.20
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,2-difluoroethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]ethanol
CID 107486351
2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol
CID 177169613
7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 107485086
2-[(6-chloropyridazin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107479149
methyl 2-[(2-methoxy-2-oxoethyl)-(1,3-thiazol-5-ylmethyl)amino]acetate
CID 112548860
2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol
CID 107485375
5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 107493123
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485716
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484946
2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol
CID 107485496
2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol
CID 107485059
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485432

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(1,3-thiazol-5-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl(1,3-thiazol-5-ylmethyl)amino]ethanol (CID 107485139) is 2-[2,2-difluoroethyl(1,3-thiazol-5-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl(1,3-thiazol-5-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl(1,3-thiazol-5-ylmethyl)amino]ethanol is OCCN(Cc1cncs1)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(1,3-thiazol-5-ylmethyl)amino]ethanol?
The InChIKey is FZRSXRARLPKXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2OS/c9-8(10)5-12(1-2-13)4-7-3-11-6-14-7/h3,6,8,13H,1-2,4-5H2.
What are the key properties of 2-[2,2-difluoroethyl(1,3-thiazol-5-ylmethyl)amino]ethanol?
2-[2,2-difluoroethyl(1,3-thiazol-5-ylmethyl)amino]ethanol has a molecular weight of 222.26 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(1,3-thiazol-5-ylmethyl)amino]ethanol is sourced from PubChem (CID 107485139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).