2,2-difluoro-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,3-diamine

C8H9F2N5O2S — CID 114384415

IUPAC2,2-difluoro-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,3-diamine
SMILESNCC(F)(F)CNc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C8H9F2N5O2S/c9-8(10,3-11)4-12-5-6(15(16)17)14-1-2-18-7(14)13-5/h1-2,12H,3-4,11H2
InChIKeyVKDIWUXKMZHAQE-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.31
Rot. Bonds5

About 2,2-difluoro-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,3-diamine

2,2-difluoro-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,3-diamine (PubChem CID 114384415) has the molecular formula C8H9F2N5O2S and a molecular weight of 277.26 g/mol. Its IUPAC name is 2,2-difluoro-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-difluoro-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,3-diamine
PubChem CID114384415
Molecular FormulaC8H9F2N5O2S
Molecular Weight277.26 g/mol
Exact Mass277.04
IUPAC Name2,2-difluoro-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,3-diamine
SMILESNCC(F)(F)CNc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C8H9F2N5O2S/c9-8(10,3-11)4-12-5-6(15(16)17)14-1-2-18-7(14)13-5/h1-2,12H,3-4,11H2
InChIKeyVKDIWUXKMZHAQE-UHFFFAOYSA-N
XLogP1.31
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.31
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-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,3-diamine?
The IUPAC name of 2,2-difluoro-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,3-diamine (CID 114384415) is 2,2-difluoro-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-difluoro-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-difluoro-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,3-diamine is NCC(F)(F)CNc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of 2,2-difluoro-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,3-diamine?
The InChIKey is VKDIWUXKMZHAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N5O2S/c9-8(10,3-11)4-12-5-6(15(16)17)14-1-2-18-7(14)13-5/h1-2,12H,3-4,11H2.
What are the key properties of 2,2-difluoro-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,3-diamine?
2,2-difluoro-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,3-diamine has a molecular weight of 277.26 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,3-diamine is sourced from PubChem (CID 114384415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).