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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Related Compounds

3-isoquinolin-1-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267883
N-(2-methoxyethyl)-3-naphthalen-1-yl-1,2,4-thiadiazol-5-amine
CID 65268066
N-ethyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 82741757
N-(2-methoxyethyl)-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 65267766
3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267869
N-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65267650
N-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine
CID 165466681
N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65268124
N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2462730
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267594
N-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine
CID 116812463

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).