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

C12H21N3OS — CID 2197904

IUPACN-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCCCCc1nnc(NC(=O)CCCC)s1
InChIInChI=1S/C12H21N3OS/c1-3-5-7-9-11-14-15-12(17-11)13-10(16)8-6-4-2/h3-9H2,1-2H3,(H,13,15,16)
InChIKeyRJVZKDLYMQVPIA-UHFFFAOYSA-N
MW255.39 g/mol
LogP3.40
Rot. Bonds8

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

N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide (PubChem CID 2197904) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide.

Molecular Properties

Compound NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
PubChem CID2197904
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCCCCc1nnc(NC(=O)CCCC)s1
InChIInChI=1S/C12H21N3OS/c1-3-5-7-9-11-14-15-12(17-11)13-10(16)8-6-4-2/h3-9H2,1-2H3,(H,13,15,16)
InChIKeyRJVZKDLYMQVPIA-UHFFFAOYSA-N
XLogP3.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 53.40
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)butanamide
CID 4629599
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-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide
CID 35865392
ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate
CID 3112368
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-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethoxy]ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 3101008
(E)-N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide
CID 6435707

Frequently Asked Questions

What is the IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide?
The IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide (CID 2197904) is N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide.
What is the SMILES notation for N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide?
The canonical SMILES for N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide is CCCCCc1nnc(NC(=O)CCCC)s1.
What is the InChIKey of N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide?
The InChIKey is RJVZKDLYMQVPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-5-7-9-11-14-15-12(17-11)13-10(16)8-6-4-2/h3-9H2,1-2H3,(H,13,15,16).
What are the key properties of N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide?
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide has a molecular weight of 255.39 g/mol, XLogP of 3.40, 8 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)pentanamide is sourced from PubChem (CID 2197904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).