N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

C11H10F2N6O2S — CID 38773017

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(Cc1nccn1C(F)F)c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H10F2N6O2S/c1-16(6-7-14-2-3-17(7)10(12)13)8-9(19(20)21)18-4-5-22-11(18)15-8/h2-5,10H,6H2,1H3
InChIKeyPYUHRYKFYZITHJ-UHFFFAOYSA-N
MW328.30 g/mol
LogP2.53
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 38773017) has the molecular formula C11H10F2N6O2S and a molecular weight of 328.30 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID38773017
Molecular FormulaC11H10F2N6O2S
Molecular Weight328.30 g/mol
Exact Mass328.06
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(Cc1nccn1C(F)F)c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H10F2N6O2S/c1-16(6-7-14-2-3-17(7)10(12)13)8-9(19(20)21)18-4-5-22-11(18)15-8/h2-5,10H,6H2,1H3
InChIKeyPYUHRYKFYZITHJ-UHFFFAOYSA-N
XLogP2.53
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Related Compounds

5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43471138
5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 55175332
5-nitro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 79040115
N-(2,2-difluoroethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 79099277
N'-(2,2-difluoroethyl)-N'-ethyl-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine
CID 86819420
5-nitro-N-(4,4,4-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 104854461
5-nitro-N-[1-(trifluoromethyl)cyclopropyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 106214918
5-nitro-N-(2,2,3,3-tetrafluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 106293559
2-[2,2-Difluoroethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]ethanol
CID 107484098
2-[(5-Nitroimidazo[2,1-b][1,3]thiazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484399
2,2-difluoro-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,3-diamine
CID 114384415
5-nitro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 115486627

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 38773017) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is CN(Cc1nccn1C(F)F)c1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is PYUHRYKFYZITHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N6O2S/c1-16(6-7-14-2-3-17(7)10(12)13)8-9(19(20)21)18-4-5-22-11(18)15-8/h2-5,10H,6H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 328.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 38773017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).