2-(1-methyl-5-nitroimidazol-2-yl)-5-piperidin-1-yl-1,3,4-thiadiazole

C11H14N6O2S — CID 11623477

IUPAC2-(1-methyl-5-nitroimidazol-2-yl)-5-piperidin-1-yl-1,3,4-thiadiazole
SMILESCn1c([N+](=O)[O-])cnc1-c1nnc(N2CCCCC2)s1
InChIInChI=1S/C11H14N6O2S/c1-15-8(17(18)19)7-12-9(15)10-13-14-11(20-10)16-5-3-2-4-6-16/h7H,2-6H2,1H3
InChIKeyYJMRPIOCOQBEBY-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.84
Rot. Bonds3

About 2-(1-methyl-5-nitroimidazol-2-yl)-5-piperidin-1-yl-1,3,4-thiadiazole

2-(1-methyl-5-nitroimidazol-2-yl)-5-piperidin-1-yl-1,3,4-thiadiazole (PubChem CID 11623477) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-(1-methyl-5-nitroimidazol-2-yl)-5-piperidin-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-methyl-5-nitroimidazol-2-yl)-5-piperidin-1-yl-1,3,4-thiadiazole
PubChem CID11623477
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC Name2-(1-methyl-5-nitroimidazol-2-yl)-5-piperidin-1-yl-1,3,4-thiadiazole
SMILESCn1c([N+](=O)[O-])cnc1-c1nnc(N2CCCCC2)s1
InChIInChI=1S/C11H14N6O2S/c1-15-8(17(18)19)7-12-9(15)10-13-14-11(20-10)16-5-3-2-4-6-16/h7H,2-6H2,1H3
InChIKeyYJMRPIOCOQBEBY-UHFFFAOYSA-N
XLogP1.84
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
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 2-(1-methyl-5-nitroimidazol-2-yl)-5-piperidin-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(1-methyl-5-nitroimidazol-2-yl)-5-piperidin-1-yl-1,3,4-thiadiazole (CID 11623477) is 2-(1-methyl-5-nitroimidazol-2-yl)-5-piperidin-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-methyl-5-nitroimidazol-2-yl)-5-piperidin-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-methyl-5-nitroimidazol-2-yl)-5-piperidin-1-yl-1,3,4-thiadiazole is Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCCCC2)s1.
What is the InChIKey of 2-(1-methyl-5-nitroimidazol-2-yl)-5-piperidin-1-yl-1,3,4-thiadiazole?
The InChIKey is YJMRPIOCOQBEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-15-8(17(18)19)7-12-9(15)10-13-14-11(20-10)16-5-3-2-4-6-16/h7H,2-6H2,1H3.
What are the key properties of 2-(1-methyl-5-nitroimidazol-2-yl)-5-piperidin-1-yl-1,3,4-thiadiazole?
2-(1-methyl-5-nitroimidazol-2-yl)-5-piperidin-1-yl-1,3,4-thiadiazole has a molecular weight of 294.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-5-nitroimidazol-2-yl)-5-piperidin-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 11623477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).