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

C8H12N4O2S — CID 71392216

IUPACN-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(NC(=O)CC)s1
InChIInChI=1S/C8H12N4O2S/c1-3-5(13)9-7-11-12-8(15-7)10-6(14)4-2/h3-4H2,1-2H3,(H,9,11,13)(H,10,12,14)
InChIKeyATUKSKMQGMCJJS-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.24
Rot. Bonds4

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

N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 71392216) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID71392216
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC NameN-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(NC(=O)CC)s1
InChIInChI=1S/C8H12N4O2S/c1-3-5(13)9-7-11-12-8(15-7)10-6(14)4-2/h3-4H2,1-2H3,(H,9,11,13)(H,10,12,14)
InChIKeyATUKSKMQGMCJJS-UHFFFAOYSA-N
XLogP1.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 2039486
N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
CID 162747394
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
N-[5-[2-oxo-2-(2-propanoylhydrazinyl)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 3584343
N-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100748256
N-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 82176796
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 139461012
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 977320
N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 60654828
N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 7950125
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100735030

Frequently Asked Questions

What is the IUPAC name of N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide (CID 71392216) is N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(NC(=O)CC)s1.
What is the InChIKey of N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is ATUKSKMQGMCJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-3-5(13)9-7-11-12-8(15-7)10-6(14)4-2/h3-4H2,1-2H3,(H,9,11,13)(H,10,12,14).
What are the key properties of N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 228.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 71392216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).