2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol

C8H11ClF2N2O2S — CID 107481017

IUPAC2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(CC(F)F)c1nc(Cl)c(CO)s1
InChIInChI=1S/C8H11ClF2N2O2S/c9-7-5(4-15)16-8(12-7)13(1-2-14)3-6(10)11/h6,14-15H,1-4H2
InChIKeyFHSZYWMQLFUASF-UHFFFAOYSA-N
MW272.70 g/mol
LogP1.35
Rot. Bonds6

About 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol

2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107481017) has the molecular formula C8H11ClF2N2O2S and a molecular weight of 272.70 g/mol. Its IUPAC name is 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107481017
Molecular FormulaC8H11ClF2N2O2S
Molecular Weight272.70 g/mol
Exact Mass272.02
IUPAC Name2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(CC(F)F)c1nc(Cl)c(CO)s1
InChIInChI=1S/C8H11ClF2N2O2S/c9-7-5(4-15)16-8(12-7)13(1-2-14)3-6(10)11/h6,14-15H,1-4H2
InChIKeyFHSZYWMQLFUASF-UHFFFAOYSA-N
XLogP1.35
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol (CID 107481017) is 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol is OCCN(CC(F)F)c1nc(Cl)c(CO)s1.
What is the InChIKey of 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is FHSZYWMQLFUASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF2N2O2S/c9-7-5(4-15)16-8(12-7)13(1-2-14)3-6(10)11/h6,14-15H,1-4H2.
What are the key properties of 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol?
2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 272.70 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107481017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).