2-[2,2-difluoroethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol

C10H13F2N3O2S — CID 107481009

IUPAC2-[2,2-difluoroethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol
SMILESOCCN(CC(F)F)c1nc2sccn2c1CO
InChIInChI=1S/C10H13F2N3O2S/c11-8(12)5-14(1-3-16)9-7(6-17)15-2-4-18-10(15)13-9/h2,4,8,16-17H,1,3,5-6H2
InChIKeyJKIHWRYXLIEWJI-UHFFFAOYSA-N
MW277.30 g/mol
LogP0.95
Rot. Bonds6

About 2-[2,2-difluoroethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol

2-[2,2-difluoroethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol (PubChem CID 107481009) has the molecular formula C10H13F2N3O2S and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol
PubChem CID107481009
Molecular FormulaC10H13F2N3O2S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC Name2-[2,2-difluoroethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol
SMILESOCCN(CC(F)F)c1nc2sccn2c1CO
InChIInChI=1S/C10H13F2N3O2S/c11-8(12)5-14(1-3-16)9-7(6-17)15-2-4-18-10(15)13-9/h2,4,8,16-17H,1,3,5-6H2
InChIKeyJKIHWRYXLIEWJI-UHFFFAOYSA-N
XLogP0.95
TPSA61.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol (CID 107481009) is 2-[2,2-difluoroethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol is OCCN(CC(F)F)c1nc2sccn2c1CO.
What is the InChIKey of 2-[2,2-difluoroethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol?
The InChIKey is JKIHWRYXLIEWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2S/c11-8(12)5-14(1-3-16)9-7(6-17)15-2-4-18-10(15)13-9/h2,4,8,16-17H,1,3,5-6H2.
What are the key properties of 2-[2,2-difluoroethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol?
2-[2,2-difluoroethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol has a molecular weight of 277.30 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol is sourced from PubChem (CID 107481009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).