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

C10H8F2N6O2S — CID 133276540

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCc2nccn2C(F)F)nc2sccn12
InChIInChI=1S/C10H8F2N6O2S/c11-9(12)16-2-1-13-6(16)5-14-7-8(18(19)20)17-3-4-21-10(17)15-7/h1-4,9,14H,5H2
InChIKeyHSRUTGKDBPDMPI-UHFFFAOYSA-N
MW314.28 g/mol
LogP2.51
Rot. Bonds5

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 133276540) has the molecular formula C10H8F2N6O2S and a molecular weight of 314.28 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID133276540
Molecular FormulaC10H8F2N6O2S
Molecular Weight314.28 g/mol
Exact Mass314.04
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCc2nccn2C(F)F)nc2sccn12
InChIInChI=1S/C10H8F2N6O2S/c11-9(12)16-2-1-13-6(16)5-14-7-8(18(19)20)17-3-4-21-10(17)15-7/h1-4,9,14H,5H2
InChIKeyHSRUTGKDBPDMPI-UHFFFAOYSA-N
XLogP2.51
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 133276540) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NCc2nccn2C(F)F)nc2sccn12.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is HSRUTGKDBPDMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N6O2S/c11-9(12)16-2-1-13-6(16)5-14-7-8(18(19)20)17-3-4-21-10(17)15-7/h1-4,9,14H,5H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 314.28 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 133276540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).