N-(3-methoxypropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

C10H15N5O2S — CID 110385618

IUPACN-(3-methoxypropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCOCCCNC(=O)CCc1nn2cnnc2s1
InChIInChI=1S/C10H15N5O2S/c1-17-6-2-5-11-8(16)3-4-9-14-15-7-12-13-10(15)18-9/h7H,2-6H2,1H3,(H,11,16)
InChIKeyGPSWELOGMNHMGG-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.27
Rot. Bonds7

About N-(3-methoxypropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

N-(3-methoxypropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110385618) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110385618
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC NameN-(3-methoxypropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCOCCCNC(=O)CCc1nn2cnnc2s1
InChIInChI=1S/C10H15N5O2S/c1-17-6-2-5-11-8(16)3-4-9-14-15-7-12-13-10(15)18-9/h7H,2-6H2,1H3,(H,11,16)
InChIKeyGPSWELOGMNHMGG-UHFFFAOYSA-N
XLogP0.27
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(3-methoxypropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-(3-methoxypropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110385618) is N-(3-methoxypropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-(3-methoxypropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is COCCCNC(=O)CCc1nn2cnnc2s1.
What is the InChIKey of N-(3-methoxypropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is GPSWELOGMNHMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-17-6-2-5-11-8(16)3-4-9-14-15-7-12-13-10(15)18-9/h7H,2-6H2,1H3,(H,11,16).
What are the key properties of N-(3-methoxypropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-(3-methoxypropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 269.33 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110385618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).