N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide

C9H16N4OS — CID 114754330

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide
SMILESCCCCCCC(=O)Nc1nnc(N)s1
InChIInChI=1S/C9H16N4OS/c1-2-3-4-5-6-7(14)11-9-13-12-8(10)15-9/h2-6H2,1H3,(H2,10,12)(H,11,13,14)
InChIKeyKJWUFPCWVQOUOI-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.03
Rot. Bonds6

About N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide

N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide (PubChem CID 114754330) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide
PubChem CID114754330
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide
SMILESCCCCCCC(=O)Nc1nnc(N)s1
InChIInChI=1S/C9H16N4OS/c1-2-3-4-5-6-7(14)11-9-13-12-8(10)15-9/h2-6H2,1H3,(H2,10,12)(H,11,13,14)
InChIKeyKJWUFPCWVQOUOI-UHFFFAOYSA-N
XLogP2.03
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
CID 5078577
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)octanamide
CID 3492892
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)dodecanamide
CID 3276028
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3112369
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]heptanamide
CID 3116147
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide
CID 108744035
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 5179103
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 58719647
N-[5-(cyclobutylamino)-1,3,4-thiadiazol-2-yl]octadec-9-enamide
CID 509889
3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid
CID 82058147

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide (CID 114754330) is N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide is CCCCCCC(=O)Nc1nnc(N)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide?
The InChIKey is KJWUFPCWVQOUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-2-3-4-5-6-7(14)11-9-13-12-8(10)15-9/h2-6H2,1H3,(H2,10,12)(H,11,13,14).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide has a molecular weight of 228.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide is sourced from PubChem (CID 114754330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).