N-(6-ethyl-2-pyridinyl)-3-propyl-1,2,4-thiadiazol-5-amine

C12H16N4S — CID 163644984

IUPACN-(6-ethyl-2-pyridinyl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(Nc2cccc(CC)n2)n1
InChIInChI=1S/C12H16N4S/c1-3-6-11-15-12(17-16-11)14-10-8-5-7-9(4-2)13-10/h5,7-8H,3-4,6H2,1-2H3,(H,13,14,15,16)
InChIKeyIHMFDMXZVZCDGD-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.19
Rot. Bonds5

About N-(6-ethyl-2-pyridinyl)-3-propyl-1,2,4-thiadiazol-5-amine

N-(6-ethyl-2-pyridinyl)-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 163644984) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(6-ethyl-2-pyridinyl)-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(6-ethyl-2-pyridinyl)-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID163644984
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC NameN-(6-ethyl-2-pyridinyl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(Nc2cccc(CC)n2)n1
InChIInChI=1S/C12H16N4S/c1-3-6-11-15-12(17-16-11)14-10-8-5-7-9(4-2)13-10/h5,7-8H,3-4,6H2,1-2H3,(H,13,14,15,16)
InChIKeyIHMFDMXZVZCDGD-UHFFFAOYSA-N
XLogP3.19
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-2-pyridinyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(6-ethyl-2-pyridinyl)-3-propyl-1,2,4-thiadiazol-5-amine (CID 163644984) is N-(6-ethyl-2-pyridinyl)-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(6-ethyl-2-pyridinyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(6-ethyl-2-pyridinyl)-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(Nc2cccc(CC)n2)n1.
What is the InChIKey of N-(6-ethyl-2-pyridinyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is IHMFDMXZVZCDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-3-6-11-15-12(17-16-11)14-10-8-5-7-9(4-2)13-10/h5,7-8H,3-4,6H2,1-2H3,(H,13,14,15,16).
What are the key properties of N-(6-ethyl-2-pyridinyl)-3-propyl-1,2,4-thiadiazol-5-amine?
N-(6-ethyl-2-pyridinyl)-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 248.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-2-pyridinyl)-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 163644984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).