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

C8H13N3OS — CID 131154139

IUPACN-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
SMILESCCC(=O)NC(C)c1nnc(C)s1
InChIInChI=1S/C8H13N3OS/c1-4-7(12)9-5(2)8-11-10-6(3)13-8/h5H,4H2,1-3H3,(H,9,12)
InChIKeyQWSUBOVWECDTEZ-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.43
Rot. Bonds3

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

N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide (PubChem CID 131154139) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
PubChem CID131154139
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
SMILESCCC(=O)NC(C)c1nnc(C)s1
InChIInChI=1S/C8H13N3OS/c1-4-7(12)9-5(2)8-11-10-6(3)13-8/h5H,4H2,1-3H3,(H,9,12)
InChIKeyQWSUBOVWECDTEZ-UHFFFAOYSA-N
XLogP1.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 97306373
3-bromo-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]prop-2-ynamide
CID 130863570
tert-butyl N-[(1R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
CID 134338437
2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid
CID 104572108
N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
CID 162747394
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-amine
CID 104628519
[(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]carbamic acid
CID 121397713
3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol
CID 65208679
N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide
CID 71392216
5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 130703712
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentanamine
CID 104625643
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hept-6-en-3-amine
CID 104628537

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide?
The IUPAC name of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide (CID 131154139) is N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide?
The canonical SMILES for N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide is CCC(=O)NC(C)c1nnc(C)s1.
What is the InChIKey of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide?
The InChIKey is QWSUBOVWECDTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-4-7(12)9-5(2)8-11-10-6(3)13-8/h5H,4H2,1-3H3,(H,9,12).
What are the key properties of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide?
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide has a molecular weight of 199.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 131154139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).