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

C6H5N5O2S — CID 14594850

IUPAC2-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole
SMILESCn1c([N+](=O)[O-])cnc1-c1nncs1
InChIInChI=1S/C6H5N5O2S/c1-10-4(11(12)13)2-7-5(10)6-9-8-3-14-6/h2-3H,1H3
InChIKeyXIDSWTHXEUWBLV-UHFFFAOYSA-N
MW211.21 g/mol
LogP0.85
Rot. Bonds2

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

2-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole (PubChem CID 14594850) has the molecular formula C6H5N5O2S and a molecular weight of 211.21 g/mol. Its IUPAC name is 2-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole
PubChem CID14594850
Molecular FormulaC6H5N5O2S
Molecular Weight211.21 g/mol
Exact Mass211.02
IUPAC Name2-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole
SMILESCn1c([N+](=O)[O-])cnc1-c1nncs1
InChIInChI=1S/C6H5N5O2S/c1-10-4(11(12)13)2-7-5(10)6-9-8-3-14-6/h2-3H,1H3
InChIKeyXIDSWTHXEUWBLV-UHFFFAOYSA-N
XLogP0.85
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 50.85
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'}

Analyze 2-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole 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 2-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole (CID 14594850) is 2-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole is Cn1c([N+](=O)[O-])cnc1-c1nncs1.
What is the InChIKey of 2-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole?
The InChIKey is XIDSWTHXEUWBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O2S/c1-10-4(11(12)13)2-7-5(10)6-9-8-3-14-6/h2-3H,1H3.
What are the key properties of 2-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole?
2-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole has a molecular weight of 211.21 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 14594850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).