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

C14H16N6O3S — CID 35905853

IUPAC3-methyl-5-[[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)on1
InChIInChI=1S/C14H16N6O3S/c1-10-8-11(23-16-10)9-17-2-4-18(5-3-17)12-13(20(21)22)19-6-7-24-14(19)15-12/h6-8H,2-5,9H2,1H3
InChIKeyCHLLOLNGFIVISZ-UHFFFAOYSA-N
MW348.39 g/mol
LogP1.92
Rot. Bonds4

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

3-methyl-5-[[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 35905853) has the molecular formula C14H16N6O3S and a molecular weight of 348.39 g/mol. Its IUPAC name is 3-methyl-5-[[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID35905853
Molecular FormulaC14H16N6O3S
Molecular Weight348.39 g/mol
Exact Mass348.10
IUPAC Name3-methyl-5-[[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)on1
InChIInChI=1S/C14H16N6O3S/c1-10-8-11(23-16-10)9-17-2-4-18(5-3-17)12-13(20(21)22)19-6-7-24-14(19)15-12/h6-8H,2-5,9H2,1H3
InChIKeyCHLLOLNGFIVISZ-UHFFFAOYSA-N
XLogP1.92
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 3-methyl-5-[[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]methyl]-1,2-oxazole (CID 35905853) is 3-methyl-5-[[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)on1.
What is the InChIKey of 3-methyl-5-[[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is CHLLOLNGFIVISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3S/c1-10-8-11(23-16-10)9-17-2-4-18(5-3-17)12-13(20(21)22)19-6-7-24-14(19)15-12/h6-8H,2-5,9H2,1H3.
What are the key properties of 3-methyl-5-[[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]methyl]-1,2-oxazole?
3-methyl-5-[[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 348.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 35905853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).