N-[(4-fluorophenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

C12H9FN4O2S — CID 8006768

IUPACN-[(4-fluorophenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCc2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C12H9FN4O2S/c13-9-3-1-8(2-4-9)7-14-10-11(17(18)19)16-5-6-20-12(16)15-10/h1-6,14H,7H2
InChIKeyKNONGEKLIKMAPC-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.06
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

N-[(4-fluorophenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 8006768) has the molecular formula C12H9FN4O2S and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID8006768
Molecular FormulaC12H9FN4O2S
Molecular Weight292.30 g/mol
Exact Mass292.04
IUPAC NameN-[(4-fluorophenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCc2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C12H9FN4O2S/c13-9-3-1-8(2-4-9)7-14-10-11(17(18)19)16-5-6-20-12(16)15-10/h1-6,14H,7H2
InChIKeyKNONGEKLIKMAPC-UHFFFAOYSA-N
XLogP3.06
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[(E)-[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 9572239
2-[(Z)-[2-fluoro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 57397343
6-(4-Fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole
CID 54770030
6-(2-Fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole
CID 54770031
2-[(Z)-[6-(4-fluoro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 57390272
2-[(Z)-[6-(4-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 57395515
2-[(Z)-[6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 57395517
2-[(E)-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 57402532
Imidazo(2,1-b)thiazole, 6-(p-nitrophenyl)-5-nitroso-
CID 135671
Imidazo(2,1-b)thiazole, 5-nitro-6-(p-nitrophenyl)-
CID 146279
2-[(E)-[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 9572238
2-[(Z)-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 54612616

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 8006768) is N-[(4-fluorophenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NCc2ccc(F)cc2)nc2sccn12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is KNONGEKLIKMAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2S/c13-9-3-1-8(2-4-9)7-14-10-11(17(18)19)16-5-6-20-12(16)15-10/h1-6,14H,7H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-[(4-fluorophenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 292.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 8006768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).