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

C10H15N5OS — CID 110385609

IUPACN-(2-methylpropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCC(C)CNC(=O)CCc1nn2cnnc2s1
InChIInChI=1S/C10H15N5OS/c1-7(2)5-11-8(16)3-4-9-14-15-6-12-13-10(15)17-9/h6-7H,3-5H2,1-2H3,(H,11,16)
InChIKeyUQWWPRZLCYKPRA-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.89
Rot. Bonds5

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

N-(2-methylpropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110385609) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110385609
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC NameN-(2-methylpropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCC(C)CNC(=O)CCc1nn2cnnc2s1
InChIInChI=1S/C10H15N5OS/c1-7(2)5-11-8(16)3-4-9-14-15-6-12-13-10(15)17-9/h6-7H,3-5H2,1-2H3,(H,11,16)
InChIKeyUQWWPRZLCYKPRA-UHFFFAOYSA-N
XLogP0.89
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-(2-methylpropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110385609) is N-(2-methylpropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-(2-methylpropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is CC(C)CNC(=O)CCc1nn2cnnc2s1.
What is the InChIKey of N-(2-methylpropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is UQWWPRZLCYKPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-7(2)5-11-8(16)3-4-9-14-15-6-12-13-10(15)17-9/h6-7H,3-5H2,1-2H3,(H,11,16).
What are the key properties of N-(2-methylpropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-(2-methylpropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 253.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110385609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).