5-[1-(5-methyl-2-pyridinyl)ethyl]-4-propan-2-ylthiadiazole

C13H17N3S — CID 174648708

IUPAC5-[1-(5-methyl-2-pyridinyl)ethyl]-4-propan-2-ylthiadiazole
SMILESCc1ccc(C(C)c2snnc2C(C)C)nc1
InChIInChI=1S/C13H17N3S/c1-8(2)12-13(17-16-15-12)10(4)11-6-5-9(3)7-14-11/h5-8,10H,1-4H3
InChIKeyZIKYDGKPTUNKOU-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.52
Rot. Bonds3

About 5-[1-(5-methyl-2-pyridinyl)ethyl]-4-propan-2-ylthiadiazole

5-[1-(5-methyl-2-pyridinyl)ethyl]-4-propan-2-ylthiadiazole (PubChem CID 174648708) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 5-[1-(5-methyl-2-pyridinyl)ethyl]-4-propan-2-ylthiadiazole.

Molecular Properties

Compound Name5-[1-(5-methyl-2-pyridinyl)ethyl]-4-propan-2-ylthiadiazole
PubChem CID174648708
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name5-[1-(5-methyl-2-pyridinyl)ethyl]-4-propan-2-ylthiadiazole
SMILESCc1ccc(C(C)c2snnc2C(C)C)nc1
InChIInChI=1S/C13H17N3S/c1-8(2)12-13(17-16-15-12)10(4)11-6-5-9(3)7-14-11/h5-8,10H,1-4H3
InChIKeyZIKYDGKPTUNKOU-UHFFFAOYSA-N
XLogP3.52
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-methyl-2-pyridinyl)ethyl]-4-propan-2-ylthiadiazole?
The IUPAC name of 5-[1-(5-methyl-2-pyridinyl)ethyl]-4-propan-2-ylthiadiazole (CID 174648708) is 5-[1-(5-methyl-2-pyridinyl)ethyl]-4-propan-2-ylthiadiazole.
What is the SMILES notation for 5-[1-(5-methyl-2-pyridinyl)ethyl]-4-propan-2-ylthiadiazole?
The canonical SMILES for 5-[1-(5-methyl-2-pyridinyl)ethyl]-4-propan-2-ylthiadiazole is Cc1ccc(C(C)c2snnc2C(C)C)nc1.
What is the InChIKey of 5-[1-(5-methyl-2-pyridinyl)ethyl]-4-propan-2-ylthiadiazole?
The InChIKey is ZIKYDGKPTUNKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-8(2)12-13(17-16-15-12)10(4)11-6-5-9(3)7-14-11/h5-8,10H,1-4H3.
What are the key properties of 5-[1-(5-methyl-2-pyridinyl)ethyl]-4-propan-2-ylthiadiazole?
5-[1-(5-methyl-2-pyridinyl)ethyl]-4-propan-2-ylthiadiazole has a molecular weight of 247.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-methyl-2-pyridinyl)ethyl]-4-propan-2-ylthiadiazole is sourced from PubChem (CID 174648708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).