5-(imidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine

C7H9N5S — CID 80608351

IUPAC5-(imidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Cn2ccnc2)s1
InChIInChI=1S/C7H9N5S/c1-8-7-11-10-6(13-7)4-12-3-2-9-5-12/h2-3,5H,4H2,1H3,(H,8,11)
InChIKeyCUZKSRDMOATHNC-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.82
Rot. Bonds3

About 5-(imidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine

5-(imidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 80608351) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID80608351
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name5-(imidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Cn2ccnc2)s1
InChIInChI=1S/C7H9N5S/c1-8-7-11-10-6(13-7)4-12-3-2-9-5-12/h2-3,5H,4H2,1H3,(H,8,11)
InChIKeyCUZKSRDMOATHNC-UHFFFAOYSA-N
XLogP0.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(imidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 80608351) is 5-(imidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(Cn2ccnc2)s1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is CUZKSRDMOATHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-8-7-11-10-6(13-7)4-12-3-2-9-5-12/h2-3,5H,4H2,1H3,(H,8,11).
What are the key properties of 5-(imidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-(imidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 195.25 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).