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

C11H14N4OS — CID 65268176

IUPACN-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(-c2ncccc2C)ns1
InChIInChI=1S/C11H14N4OS/c1-8-4-3-5-12-9(8)10-14-11(17-15-10)13-6-7-16-2/h3-5H,6-7H2,1-2H3,(H,13,14,15)
InChIKeyHEYCXNHCTSUNKU-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.97
Rot. Bonds5

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

N-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268176) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268176
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(-c2ncccc2C)ns1
InChIInChI=1S/C11H14N4OS/c1-8-4-3-5-12-9(8)10-14-11(17-15-10)13-6-7-16-2/h3-5H,6-7H2,1-2H3,(H,13,14,15)
InChIKeyHEYCXNHCTSUNKU-UHFFFAOYSA-N
XLogP1.97
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine (CID 65268176) is N-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(-c2ncccc2C)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HEYCXNHCTSUNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8-4-3-5-12-9(8)10-14-11(17-15-10)13-6-7-16-2/h3-5H,6-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
N-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 250.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).