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

C6H9N3OS — CID 1080978

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nnc(C)s1
InChIInChI=1S/C6H9N3OS/c1-3-5(10)7-6-9-8-4(2)11-6/h3H2,1-2H3,(H,7,9,10)
InChIKeyIQEWUPIXSGWUSE-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.20
Rot. Bonds2

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

N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 1080978) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID1080978
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nnc(C)s1
InChIInChI=1S/C6H9N3OS/c1-3-5(10)7-6-9-8-4(2)11-6/h3H2,1-2H3,(H,7,9,10)
InChIKeyIQEWUPIXSGWUSE-UHFFFAOYSA-N
XLogP1.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 702044
N-[5-(2-Methoxy-ethyl)-[1,3,4]thiadiazol-2-yl]-isobutyramide
CID 2021787
N-(5-Methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 234612
N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 839902
Propionamide, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-
CID 213280
Propionamide, N-(5-butyl-1,3,4-thiadiazol-2-yl)-
CID 3065345
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
CID 745391
3-Chloro-N-[5-(2-chloroethyl)-[1,3,4]thiadiazol-2-yl]-propionamide
CID 50993637
Acetamide, N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)-
CID 165873
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide
CID 1221966
N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 5113836
Propionamide, N-(5-propyl-1,3,4-thiadiazol-2-yl)-
CID 213279

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 1080978) is N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is CCC(=O)Nc1nnc(C)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is IQEWUPIXSGWUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-3-5(10)7-6-9-8-4(2)11-6/h3H2,1-2H3,(H,7,9,10).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 171.22 g/mol, XLogP of 1.20, 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 is sourced from PubChem (CID 1080978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).