4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]morpholine

C10H12N6O3S — CID 11716323

IUPAC4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]morpholine
SMILESCn1c([N+](=O)[O-])cnc1-c1nnc(N2CCOCC2)s1
InChIInChI=1S/C10H12N6O3S/c1-14-7(16(17)18)6-11-8(14)9-12-13-10(20-9)15-2-4-19-5-3-15/h6H,2-5H2,1H3
InChIKeyFHTQIJMLRGIMCC-UHFFFAOYSA-N
MW296.31 g/mol
LogP0.68
Rot. Bonds3

About 4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]morpholine

4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]morpholine (PubChem CID 11716323) has the molecular formula C10H12N6O3S and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]morpholine
PubChem CID11716323
Molecular FormulaC10H12N6O3S
Molecular Weight296.31 g/mol
Exact Mass296.07
IUPAC Name4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]morpholine
SMILESCn1c([N+](=O)[O-])cnc1-c1nnc(N2CCOCC2)s1
InChIInChI=1S/C10H12N6O3S/c1-14-7(16(17)18)6-11-8(14)9-12-13-10(20-9)15-2-4-19-5-3-15/h6H,2-5H2,1H3
InChIKeyFHTQIJMLRGIMCC-UHFFFAOYSA-N
XLogP0.68
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 50.68
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'}

Analyze 4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]morpholine?
The IUPAC name of 4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]morpholine (CID 11716323) is 4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]morpholine is Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCOCC2)s1.
What is the InChIKey of 4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]morpholine?
The InChIKey is FHTQIJMLRGIMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3S/c1-14-7(16(17)18)6-11-8(14)9-12-13-10(20-9)15-2-4-19-5-3-15/h6H,2-5H2,1H3.
What are the key properties of 4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]morpholine?
4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]morpholine has a molecular weight of 296.31 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]morpholine is sourced from PubChem (CID 11716323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).