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

C8H8F2N4O3S — CID 103731272

IUPAC1,1-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-2-ol
SMILESO=[N+]([O-])c1c(NCC(O)C(F)F)nc2sccn12
InChIInChI=1S/C8H8F2N4O3S/c9-5(10)4(15)3-11-6-7(14(16)17)13-1-2-18-8(13)12-6/h1-2,4-5,11,15H,3H2
InChIKeyPOOSRDIVWDWXDX-UHFFFAOYSA-N
MW278.24 g/mol
LogP1.34
Rot. Bonds5

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

1,1-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-2-ol (PubChem CID 103731272) has the molecular formula C8H8F2N4O3S and a molecular weight of 278.24 g/mol. Its IUPAC name is 1,1-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-2-ol
PubChem CID103731272
Molecular FormulaC8H8F2N4O3S
Molecular Weight278.24 g/mol
Exact Mass278.03
IUPAC Name1,1-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-2-ol
SMILESO=[N+]([O-])c1c(NCC(O)C(F)F)nc2sccn12
InChIInChI=1S/C8H8F2N4O3S/c9-5(10)4(15)3-11-6-7(14(16)17)13-1-2-18-8(13)12-6/h1-2,4-5,11,15H,3H2
InChIKeyPOOSRDIVWDWXDX-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 1,1-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-2-ol (CID 103731272) is 1,1-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-2-ol is O=[N+]([O-])c1c(NCC(O)C(F)F)nc2sccn12.
What is the InChIKey of 1,1-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-2-ol?
The InChIKey is POOSRDIVWDWXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4O3S/c9-5(10)4(15)3-11-6-7(14(16)17)13-1-2-18-8(13)12-6/h1-2,4-5,11,15H,3H2.
What are the key properties of 1,1-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-2-ol?
1,1-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-2-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 1,1-difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-2-ol is sourced from PubChem (CID 103731272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).