N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide

C10H16N4O2S — CID 676814

IUPACN-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
SMILESCCCc1nnc(NC(=O)CC(=O)NCC)s1
InChIInChI=1S/C10H16N4O2S/c1-3-5-9-13-14-10(17-9)12-8(16)6-7(15)11-4-2/h3-6H2,1-2H3,(H,11,15)(H,12,14,16)
InChIKeyFNBRRIDTLGMLCA-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.96
Rot. Bonds6

About N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide

N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide (PubChem CID 676814) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide.

Molecular Properties

Compound NameN-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
PubChem CID676814
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC NameN-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
SMILESCCCc1nnc(NC(=O)CC(=O)NCC)s1
InChIInChI=1S/C10H16N4O2S/c1-3-5-9-13-14-10(17-9)12-8(16)6-7(15)11-4-2/h3-6H2,1-2H3,(H,11,15)(H,12,14,16)
InChIKeyFNBRRIDTLGMLCA-UHFFFAOYSA-N
XLogP0.96
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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
2-tert-butylsulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 78792540
1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199526
2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19189341
N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 142435171
tert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate
CID 34111171
2-amino-2-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119270517
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-[5-[2-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethoxy]ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 3101008
3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 82109868
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2237000

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide?
The IUPAC name of N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide (CID 676814) is N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide.
What is the SMILES notation for N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide?
The canonical SMILES for N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide is CCCc1nnc(NC(=O)CC(=O)NCC)s1.
What is the InChIKey of N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide?
The InChIKey is FNBRRIDTLGMLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-3-5-9-13-14-10(17-9)12-8(16)6-7(15)11-4-2/h3-6H2,1-2H3,(H,11,15)(H,12,14,16).
What are the key properties of N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide?
N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide has a molecular weight of 256.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide is sourced from PubChem (CID 676814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).