5-(4-amino-3-pyridinyl)-1,3,4-thiadiazol-2-amine

C7H7N5S — CID 50925635

IUPAC5-(4-amino-3-pyridinyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cnccc2N)s1
InChIInChI=1S/C7H7N5S/c8-5-1-2-10-3-4(5)6-11-12-7(9)13-6/h1-3H,(H2,8,10)(H2,9,12)
InChIKeyMNHIQWZHQXNGMA-UHFFFAOYSA-N
MW193.24 g/mol
LogP0.76
Rot. Bonds1

About 5-(4-amino-3-pyridinyl)-1,3,4-thiadiazol-2-amine

5-(4-amino-3-pyridinyl)-1,3,4-thiadiazol-2-amine (PubChem CID 50925635) has the molecular formula C7H7N5S and a molecular weight of 193.24 g/mol. Its IUPAC name is 5-(4-amino-3-pyridinyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-amino-3-pyridinyl)-1,3,4-thiadiazol-2-amine
PubChem CID50925635
Molecular FormulaC7H7N5S
Molecular Weight193.24 g/mol
Exact Mass193.04
IUPAC Name5-(4-amino-3-pyridinyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cnccc2N)s1
InChIInChI=1S/C7H7N5S/c8-5-1-2-10-3-4(5)6-11-12-7(9)13-6/h1-3H,(H2,8,10)(H2,9,12)
InChIKeyMNHIQWZHQXNGMA-UHFFFAOYSA-N
XLogP0.76
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-amino-3-pyridinyl)-1,3,4-thiadiazol-2-amine (CID 50925635) is 5-(4-amino-3-pyridinyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-amino-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-amino-3-pyridinyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2cnccc2N)s1.
What is the InChIKey of 5-(4-amino-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MNHIQWZHQXNGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5S/c8-5-1-2-10-3-4(5)6-11-12-7(9)13-6/h1-3H,(H2,8,10)(H2,9,12).
What are the key properties of 5-(4-amino-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
5-(4-amino-3-pyridinyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 193.24 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-pyridinyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 50925635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).