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

C10H15N5O3S — CID 3584343

IUPACN-[5-[2-oxo-2-(2-propanoylhydrazinyl)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)NNC(=O)Cc1nnc(NC(=O)CC)s1
InChIInChI=1S/C10H15N5O3S/c1-3-6(16)11-10-15-14-9(19-10)5-8(18)13-12-7(17)4-2/h3-5H2,1-2H3,(H,12,17)(H,13,18)(H,11,15,16)
InChIKeyRBQLVJKMUUHVFW-UHFFFAOYSA-N
MW285.33 g/mol
LogP-0.01
Rot. Bonds5

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

N-[5-[2-oxo-2-(2-propanoylhydrazinyl)ethyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 3584343) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[5-[2-oxo-2-(2-propanoylhydrazinyl)ethyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[2-oxo-2-(2-propanoylhydrazinyl)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID3584343
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC NameN-[5-[2-oxo-2-(2-propanoylhydrazinyl)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)NNC(=O)Cc1nnc(NC(=O)CC)s1
InChIInChI=1S/C10H15N5O3S/c1-3-6(16)11-10-15-14-9(19-10)5-8(18)13-12-7(17)4-2/h3-5H2,1-2H3,(H,12,17)(H,13,18)(H,11,15,16)
InChIKeyRBQLVJKMUUHVFW-UHFFFAOYSA-N
XLogP-0.01
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide
CID 71392216
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
CID 162747394
N-[5-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 3930604
N-[5-(2-piperazin-1-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 96667436
2-(5-acetamido-1,3,4-thiadiazol-2-yl)acetamide
CID 175551949
N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3112369
ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate
CID 3112368
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-oxo-2-(2-propanoylhydrazinyl)ethyl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-[2-oxo-2-(2-propanoylhydrazinyl)ethyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 3584343) is N-[5-[2-oxo-2-(2-propanoylhydrazinyl)ethyl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[2-oxo-2-(2-propanoylhydrazinyl)ethyl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[2-oxo-2-(2-propanoylhydrazinyl)ethyl]-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)NNC(=O)Cc1nnc(NC(=O)CC)s1.
What is the InChIKey of N-[5-[2-oxo-2-(2-propanoylhydrazinyl)ethyl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is RBQLVJKMUUHVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-3-6(16)11-10-15-14-9(19-10)5-8(18)13-12-7(17)4-2/h3-5H2,1-2H3,(H,12,17)(H,13,18)(H,11,15,16).
What are the key properties of N-[5-[2-oxo-2-(2-propanoylhydrazinyl)ethyl]-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-[2-oxo-2-(2-propanoylhydrazinyl)ethyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 285.33 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-oxo-2-(2-propanoylhydrazinyl)ethyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 3584343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).