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

C8H10N6O2S — CID 1260442

IUPAC5-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ncc([N+](=O)[O-])n1CCc1nnc(N)s1
InChIInChI=1S/C8H10N6O2S/c1-5-10-4-7(14(15)16)13(5)3-2-6-11-12-8(9)17-6/h4H,2-3H2,1H3,(H2,9,12)
InChIKeyUDVMRDQCTYDXGO-UHFFFAOYSA-N
MW254.27 g/mol
LogP0.78
Rot. Bonds4

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

5-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 1260442) has the molecular formula C8H10N6O2S and a molecular weight of 254.27 g/mol. Its IUPAC name is 5-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID1260442
Molecular FormulaC8H10N6O2S
Molecular Weight254.27 g/mol
Exact Mass254.06
IUPAC Name5-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ncc([N+](=O)[O-])n1CCc1nnc(N)s1
InChIInChI=1S/C8H10N6O2S/c1-5-10-4-7(14(15)16)13(5)3-2-6-11-12-8(9)17-6/h4H,2-3H2,1H3,(H2,9,12)
InChIKeyUDVMRDQCTYDXGO-UHFFFAOYSA-N
XLogP0.78
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
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 5-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 1260442) is 5-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine is Cc1ncc([N+](=O)[O-])n1CCc1nnc(N)s1.
What is the InChIKey of 5-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is UDVMRDQCTYDXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2S/c1-5-10-4-7(14(15)16)13(5)3-2-6-11-12-8(9)17-6/h4H,2-3H2,1H3,(H2,9,12).
What are the key properties of 5-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
5-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 254.27 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 1260442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).