2,2-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-1-ol

C8H8F2N4O3S — CID 104858423

IUPAC2,2-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-1-ol
SMILESO=[N+]([O-])c1c(NCC(F)(F)CO)nc2sccn12
InChIInChI=1S/C8H8F2N4O3S/c9-8(10,4-15)3-11-5-6(14(16)17)13-1-2-18-7(13)12-5/h1-2,11,15H,3-4H2
InChIKeyMMGUYCFXSVPAOJ-UHFFFAOYSA-N
MW278.24 g/mol
LogP1.34
Rot. Bonds5

About 2,2-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-1-ol

2,2-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-1-ol (PubChem CID 104858423) has the molecular formula C8H8F2N4O3S and a molecular weight of 278.24 g/mol. Its IUPAC name is 2,2-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-1-ol
PubChem CID104858423
Molecular FormulaC8H8F2N4O3S
Molecular Weight278.24 g/mol
Exact Mass278.03
IUPAC Name2,2-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-1-ol
SMILESO=[N+]([O-])c1c(NCC(F)(F)CO)nc2sccn12
InChIInChI=1S/C8H8F2N4O3S/c9-8(10,4-15)3-11-5-6(14(16)17)13-1-2-18-7(13)12-5/h1-2,11,15H,3-4H2
InChIKeyMMGUYCFXSVPAOJ-UHFFFAOYSA-N
XLogP1.34
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-1-ol (CID 104858423) is 2,2-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-1-ol is O=[N+]([O-])c1c(NCC(F)(F)CO)nc2sccn12.
What is the InChIKey of 2,2-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-1-ol?
The InChIKey is MMGUYCFXSVPAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4O3S/c9-8(10,4-15)3-11-5-6(14(16)17)13-1-2-18-7(13)12-5/h1-2,11,15H,3-4H2.
What are the key properties of 2,2-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-1-ol?
2,2-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-1-ol has a molecular weight of 278.24 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-1-ol is sourced from PubChem (CID 104858423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).