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

C11H14N4S — CID 82741757

IUPACN-ethyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(-c2ncccc2CC)ns1
InChIInChI=1S/C11H14N4S/c1-3-8-6-5-7-13-9(8)10-14-11(12-4-2)16-15-10/h5-7H,3-4H2,1-2H3,(H,12,14,15)
InChIKeyQHUMCRHPLBMAPY-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.59
Rot. Bonds4

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

N-ethyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine (PubChem CID 82741757) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N-ethyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
PubChem CID82741757
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN-ethyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(-c2ncccc2CC)ns1
InChIInChI=1S/C11H14N4S/c1-3-8-6-5-7-13-9(8)10-14-11(12-4-2)16-15-10/h5-7H,3-4H2,1-2H3,(H,12,14,15)
InChIKeyQHUMCRHPLBMAPY-UHFFFAOYSA-N
XLogP2.59
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine (CID 82741757) is N-ethyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine is CCNc1nc(-c2ncccc2CC)ns1.
What is the InChIKey of N-ethyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QHUMCRHPLBMAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-3-8-6-5-7-13-9(8)10-14-11(12-4-2)16-15-10/h5-7H,3-4H2,1-2H3,(H,12,14,15).
What are the key properties of N-ethyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
N-ethyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 234.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 82741757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).