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

C8H8N4S — CID 23463043

IUPAC5-(5-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cncc(-c2nnc(N)s2)c1
InChIInChI=1S/C8H8N4S/c1-5-2-6(4-10-3-5)7-11-12-8(9)13-7/h2-4H,1H3,(H2,9,12)
InChIKeyHISDRZYRZQPADU-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.49
Rot. Bonds1

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

5-(5-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine (PubChem CID 23463043) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 5-(5-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(5-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
PubChem CID23463043
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name5-(5-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cncc(-c2nnc(N)s2)c1
InChIInChI=1S/C8H8N4S/c1-5-2-6(4-10-3-5)7-11-12-8(9)13-7/h2-4H,1H3,(H2,9,12)
InChIKeyHISDRZYRZQPADU-UHFFFAOYSA-N
XLogP1.49
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(5-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine (CID 23463043) is 5-(5-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(5-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(5-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine is Cc1cncc(-c2nnc(N)s2)c1.
What is the InChIKey of 5-(5-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HISDRZYRZQPADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-5-2-6(4-10-3-5)7-11-12-8(9)13-7/h2-4H,1H3,(H2,9,12).
What are the key properties of 5-(5-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
5-(5-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 192.25 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 23463043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).