3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine

C13H16N6OS — CID 133335089

IUPAC3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NC(C)c2nnc3ccccn23)n1
InChIInChI=1S/C13H16N6OS/c1-9(12-17-16-11-5-3-4-7-19(11)12)14-13-15-10(18-21-13)6-8-20-2/h3-5,7,9H,6,8H2,1-2H3,(H,14,15,18)
InChIKeyBISALODSVVBXPB-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.94
Rot. Bonds6

About 3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine

3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133335089) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID133335089
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NC(C)c2nnc3ccccn23)n1
InChIInChI=1S/C13H16N6OS/c1-9(12-17-16-11-5-3-4-7-19(11)12)14-13-15-10(18-21-13)6-8-20-2/h3-5,7,9H,6,8H2,1-2H3,(H,14,15,18)
InChIKeyBISALODSVVBXPB-UHFFFAOYSA-N
XLogP1.94
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133334637
3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 133491476
N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133352584
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133370037
N-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 43230914
(2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 51885544
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 43685626
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine
CID 60720945
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
3-propan-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 133334643
(2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
CID 51885542
3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65271045

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine (CID 133335089) is 3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine is COCCc1nsc(NC(C)c2nnc3ccccn23)n1.
What is the InChIKey of 3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is BISALODSVVBXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-9(12-17-16-11-5-3-4-7-19(11)12)14-13-15-10(18-21-13)6-8-20-2/h3-5,7,9H,6,8H2,1-2H3,(H,14,15,18).
What are the key properties of 3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 304.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133335089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).