N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide

C11H19N3OS — CID 4629599

IUPACN-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCCCc1nnc(NC(=O)CCC)s1
InChIInChI=1S/C11H19N3OS/c1-3-5-6-8-10-13-14-11(16-10)12-9(15)7-4-2/h3-8H2,1-2H3,(H,12,14,15)
InChIKeyIQSUENWWUYRPKU-UHFFFAOYSA-N
MW241.36 g/mol
LogP3.01
Rot. Bonds7

About N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide

N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 4629599) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID4629599
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCCCc1nnc(NC(=O)CCC)s1
InChIInChI=1S/C11H19N3OS/c1-3-5-6-8-10-13-14-11(16-10)12-9(15)7-4-2/h3-8H2,1-2H3,(H,12,14,15)
InChIKeyIQSUENWWUYRPKU-UHFFFAOYSA-N
XLogP3.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-[5-[2-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethoxy]ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 3101008
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid
CID 82058147
N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3112369
N-[5-[2-[2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3881316
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide
CID 35865392
2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 111430455
pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate
CID 2207802
3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17225962
N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 2039486
3-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propanoic acid
CID 82316841

Frequently Asked Questions

What is the IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide (CID 4629599) is N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide is CCCCCc1nnc(NC(=O)CCC)s1.
What is the InChIKey of N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is IQSUENWWUYRPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-5-6-8-10-13-14-11(16-10)12-9(15)7-4-2/h3-8H2,1-2H3,(H,12,14,15).
What are the key properties of N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide?
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 241.36 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 4629599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).