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

C8H11ClF2N2OS — CID 107479155

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(Cc1cnc(Cl)s1)CC(F)F
InChIInChI=1S/C8H11ClF2N2OS/c9-8-12-3-6(15-8)4-13(1-2-14)5-7(10)11/h3,7,14H,1-2,4-5H2
InChIKeyIAOFVLIJGGIJKT-UHFFFAOYSA-N
MW256.70 g/mol
LogP1.86
Rot. Bonds6

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

2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107479155) has the molecular formula C8H11ClF2N2OS and a molecular weight of 256.70 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107479155
Molecular FormulaC8H11ClF2N2OS
Molecular Weight256.70 g/mol
Exact Mass256.02
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(Cc1cnc(Cl)s1)CC(F)F
InChIInChI=1S/C8H11ClF2N2OS/c9-8-12-3-6(15-8)4-13(1-2-14)5-7(10)11/h3,7,14H,1-2,4-5H2
InChIKeyIAOFVLIJGGIJKT-UHFFFAOYSA-N
XLogP1.86
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Thiazolemethanol, 5-(trifluoromethyl)-
CID 86767892
(5-(Difluoromethyl)thiazol-2-yl)methanol
CID 84652029
Ethane;[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
CID 166088272
Methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 176941473
4-[(2-Chloro-1,3-thiazol-5-yl)methyl]morpholine
CID 2764390
1,1,1-Trifluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 61530214
N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63827313
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 79764078
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 79764328
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 79764334
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 79764335
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 79764469

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol (CID 107479155) is 2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol is OCCN(Cc1cnc(Cl)s1)CC(F)F.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is IAOFVLIJGGIJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF2N2OS/c9-8-12-3-6(15-8)4-13(1-2-14)5-7(10)11/h3,7,14H,1-2,4-5H2.
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 256.70 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107479155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).