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

C10H13N7O2S — CID 11594528

IUPAC2-(1-methyl-5-nitroimidazol-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole
SMILESCn1c([N+](=O)[O-])cnc1-c1nnc(N2CCNCC2)s1
InChIInChI=1S/C10H13N7O2S/c1-15-7(17(18)19)6-12-8(15)9-13-14-10(20-9)16-4-2-11-3-5-16/h6,11H,2-5H2,1H3
InChIKeyDLZPFKVTLDZTJE-UHFFFAOYSA-N
MW295.33 g/mol
LogP0.26
Rot. Bonds3

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

2-(1-methyl-5-nitroimidazol-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole (PubChem CID 11594528) has the molecular formula C10H13N7O2S and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-(1-methyl-5-nitroimidazol-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-methyl-5-nitroimidazol-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole
PubChem CID11594528
Molecular FormulaC10H13N7O2S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC Name2-(1-methyl-5-nitroimidazol-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole
SMILESCn1c([N+](=O)[O-])cnc1-c1nnc(N2CCNCC2)s1
InChIInChI=1S/C10H13N7O2S/c1-15-7(17(18)19)6-12-8(15)9-13-14-10(20-9)16-4-2-11-3-5-16/h6,11H,2-5H2,1H3
InChIKeyDLZPFKVTLDZTJE-UHFFFAOYSA-N
XLogP0.26
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 50.26
H-Bond Donors ≤ 51
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 2-(1-methyl-5-nitroimidazol-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(1-methyl-5-nitroimidazol-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole (CID 11594528) is 2-(1-methyl-5-nitroimidazol-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-methyl-5-nitroimidazol-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-methyl-5-nitroimidazol-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole is Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCNCC2)s1.
What is the InChIKey of 2-(1-methyl-5-nitroimidazol-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole?
The InChIKey is DLZPFKVTLDZTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O2S/c1-15-7(17(18)19)6-12-8(15)9-13-14-10(20-9)16-4-2-11-3-5-16/h6,11H,2-5H2,1H3.
What are the key properties of 2-(1-methyl-5-nitroimidazol-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole?
2-(1-methyl-5-nitroimidazol-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole has a molecular weight of 295.33 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-5-nitroimidazol-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 11594528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).