N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen

C6H11N3OS — CID 162747394

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
SMILESCCC(=O)Nc1nnc(C)s1.[H][H]
InChIInChI=1S/C6H9N3OS.H2/c1-3-5(10)7-6-9-8-4(2)11-6;/h3H2,1-2H3,(H,7,9,10);1H
InChIKeyQGSDEDJEUGAQJJ-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.44
Rot. Bonds2

About N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen

N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen (PubChem CID 162747394) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
PubChem CID162747394
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
SMILESCCC(=O)Nc1nnc(C)s1.[H][H]
InChIInChI=1S/C6H9N3OS.H2/c1-3-5(10)7-6-9-8-4(2)11-6;/h3H2,1-2H3,(H,7,9,10);1H
InChIKeyQGSDEDJEUGAQJJ-UHFFFAOYSA-N
XLogP1.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen (CID 162747394) is N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen is CCC(=O)Nc1nnc(C)s1.[H][H].
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen?
The InChIKey is QGSDEDJEUGAQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS.H2/c1-3-5(10)7-6-9-8-4(2)11-6;/h3H2,1-2H3,(H,7,9,10);1H.
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen?
N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen has a molecular weight of 173.24 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen is sourced from PubChem (CID 162747394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).