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

C7H9F2N3O3S — CID 107484262

IUPAC2-[2,2-difluoroethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethanol
SMILESO=[N+]([O-])c1cnc(N(CCO)CC(F)F)s1
InChIInChI=1S/C7H9F2N3O3S/c8-5(9)4-11(1-2-13)7-10-3-6(16-7)12(14)15/h3,5,13H,1-2,4H2
InChIKeyPYTMXJYZZZGYNT-UHFFFAOYSA-N
MW253.23 g/mol
LogP1.12
Rot. Bonds6

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

2-[2,2-difluoroethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethanol (PubChem CID 107484262) has the molecular formula C7H9F2N3O3S and a molecular weight of 253.23 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethanol
PubChem CID107484262
Molecular FormulaC7H9F2N3O3S
Molecular Weight253.23 g/mol
Exact Mass253.03
IUPAC Name2-[2,2-difluoroethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethanol
SMILESO=[N+]([O-])c1cnc(N(CCO)CC(F)F)s1
InChIInChI=1S/C7H9F2N3O3S/c8-5(9)4-11(1-2-13)7-10-3-6(16-7)12(14)15/h3,5,13H,1-2,4H2
InChIKeyPYTMXJYZZZGYNT-UHFFFAOYSA-N
XLogP1.12
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethanol (CID 107484262) is 2-[2,2-difluoroethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethanol is O=[N+]([O-])c1cnc(N(CCO)CC(F)F)s1.
What is the InChIKey of 2-[2,2-difluoroethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethanol?
The InChIKey is PYTMXJYZZZGYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O3S/c8-5(9)4-11(1-2-13)7-10-3-6(16-7)12(14)15/h3,5,13H,1-2,4H2.
What are the key properties of 2-[2,2-difluoroethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethanol?
2-[2,2-difluoroethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethanol has a molecular weight of 253.23 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethanol is sourced from PubChem (CID 107484262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).