6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole

C16H16FN5O2S — CID 24508030

IUPAC6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(N2CCN(Cc3ccccc3F)CC2)nc2sccn12
InChIInChI=1S/C16H16FN5O2S/c17-13-4-2-1-3-12(13)11-19-5-7-20(8-6-19)14-15(22(23)24)21-9-10-25-16(21)18-14/h1-4,9-10H,5-8,11H2
InChIKeyWBZUAKWTSUAGSI-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.77
Rot. Bonds4

About 6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole

6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole (PubChem CID 24508030) has the molecular formula C16H16FN5O2S and a molecular weight of 361.40 g/mol. Its IUPAC name is 6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
PubChem CID24508030
Molecular FormulaC16H16FN5O2S
Molecular Weight361.40 g/mol
Exact Mass361.10
IUPAC Name6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(N2CCN(Cc3ccccc3F)CC2)nc2sccn12
InChIInChI=1S/C16H16FN5O2S/c17-13-4-2-1-3-12(13)11-19-5-7-20(8-6-19)14-15(22(23)24)21-9-10-25-16(21)18-14/h1-4,9-10H,5-8,11H2
InChIKeyWBZUAKWTSUAGSI-UHFFFAOYSA-N
XLogP2.77
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
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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Related Compounds

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
Imidazo(2,1-b)thiazole, 6-(p-nitrophenyl)-5-nitroso-
CID 135671
Imidazo(2,1-b)thiazole, 5-nitro-6-(p-nitrophenyl)-
CID 146279
1-Benzyl-4-(5-nitro-1,3-thiazol-2-yl)piperazine
CID 146049481
N-[(4-fluorophenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 8006768
5-Nitro-6-{[3-(trifluoromethyl)phenyl]sulfanyl}imidazo[2,1-b][1,3]thiazole
CID 1482509
2-Benzyl-4-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3-thiazole
CID 53594828
6-(4-Fluorophenyl)-5-nitrosoimidazo[2,1-b][1,3]thiazole
CID 15062082
N-[(2-fluorophenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 16779881
N-[(4-fluorophenyl)methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780011
N-[(3-fluoro-4-methylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780064

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole (CID 24508030) is 6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1c(N2CCN(Cc3ccccc3F)CC2)nc2sccn12.
What is the InChIKey of 6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole?
The InChIKey is WBZUAKWTSUAGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2S/c17-13-4-2-1-3-12(13)11-19-5-7-20(8-6-19)14-15(22(23)24)21-9-10-25-16(21)18-14/h1-4,9-10H,5-8,11H2.
What are the key properties of 6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole?
6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole has a molecular weight of 361.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 24508030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).