N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide

C15H22N6O2S2 — CID 3112369

IUPACN-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nnc(Cc2nnc(NC(=O)CCCC)s2)s1
InChIInChI=1S/C15H22N6O2S2/c1-3-5-7-10(22)16-14-20-18-12(24-14)9-13-19-21-15(25-13)17-11(23)8-6-4-2/h3-9H2,1-2H3,(H,16,20,22)(H,17,21,23)
InChIKeyLOQDZSNGYYQNKA-UHFFFAOYSA-N
MW382.52 g/mol
LogP3.24
Rot. Bonds10

About N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide

N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide (PubChem CID 3112369) has the molecular formula C15H22N6O2S2 and a molecular weight of 382.52 g/mol. Its IUPAC name is N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide
PubChem CID3112369
Molecular FormulaC15H22N6O2S2
Molecular Weight382.52 g/mol
Exact Mass382.12
IUPAC NameN-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nnc(Cc2nnc(NC(=O)CCCC)s2)s1
InChIInChI=1S/C15H22N6O2S2/c1-3-5-7-10(22)16-14-20-18-12(24-14)9-13-19-21-15(25-13)17-11(23)8-6-4-2/h3-9H2,1-2H3,(H,16,20,22)(H,17,21,23)
InChIKeyLOQDZSNGYYQNKA-UHFFFAOYSA-N
XLogP3.24
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide with MolForge

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Related Compounds

N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid
CID 82058147
N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3120553
N-[5-[2-[2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3881316
ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate
CID 3112368
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 5179103
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 17321419
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
CID 5078577
N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide
CID 114754330
N-[5-[2-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethoxy]ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 3101008

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide?
The IUPAC name of N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide (CID 3112369) is N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide.
What is the SMILES notation for N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide?
The canonical SMILES for N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide is CCCCC(=O)Nc1nnc(Cc2nnc(NC(=O)CCCC)s2)s1.
What is the InChIKey of N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide?
The InChIKey is LOQDZSNGYYQNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S2/c1-3-5-7-10(22)16-14-20-18-12(24-14)9-13-19-21-15(25-13)17-11(23)8-6-4-2/h3-9H2,1-2H3,(H,16,20,22)(H,17,21,23).
What are the key properties of N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide?
N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide has a molecular weight of 382.52 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide is sourced from PubChem (CID 3112369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).