2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole

C9H9N3S — CID 22899620

IUPAC2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(C)s2)cn1
InChIInChI=1S/C9H9N3S/c1-6-3-4-8(5-10-6)9-12-11-7(2)13-9/h3-5H,1-2H3
InChIKeyXAGMUFILQXUXCN-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.22
Rot. Bonds1

About 2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole

2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole (PubChem CID 22899620) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole
PubChem CID22899620
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(C)s2)cn1
InChIInChI=1S/C9H9N3S/c1-6-3-4-8(5-10-6)9-12-11-7(2)13-9/h3-5H,1-2H3
InChIKeyXAGMUFILQXUXCN-UHFFFAOYSA-N
XLogP2.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole (CID 22899620) is 2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole is Cc1ccc(-c2nnc(C)s2)cn1.
What is the InChIKey of 2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole?
The InChIKey is XAGMUFILQXUXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-6-3-4-8(5-10-6)9-12-11-7(2)13-9/h3-5H,1-2H3.
What are the key properties of 2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole?
2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole has a molecular weight of 191.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole is sourced from PubChem (CID 22899620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).