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

C8H13N3OS2 — CID 5179103

IUPACN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCCCC(=O)Nc1nnc(SC)s1
InChIInChI=1S/C8H13N3OS2/c1-3-4-5-6(12)9-7-10-11-8(13-2)14-7/h3-5H2,1-2H3,(H,9,10,12)
InChIKeyKZXUISVBJIJZFS-UHFFFAOYSA-N
MW231.35 g/mol
LogP2.39
Rot. Bonds5

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

N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide (PubChem CID 5179103) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide.

Molecular Properties

Compound NameN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide
PubChem CID5179103
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC NameN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCCCC(=O)Nc1nnc(SC)s1
InChIInChI=1S/C8H13N3OS2/c1-3-4-5-6(12)9-7-10-11-8(13-2)14-7/h3-5H2,1-2H3,(H,9,10,12)
InChIKeyKZXUISVBJIJZFS-UHFFFAOYSA-N
XLogP2.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

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-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3112369
4-(4-methylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 19218777
3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid
CID 82058147
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-[5-[2-[2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3881316
4-(2-methylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 19218704
N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
CID 5078577
N-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pentanamide
CID 7410041
N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide
CID 114754330
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)undec-10-enamide
CID 5128441

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide?
The IUPAC name of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide (CID 5179103) is N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide.
What is the SMILES notation for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide?
The canonical SMILES for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide is CCCCC(=O)Nc1nnc(SC)s1.
What is the InChIKey of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide?
The InChIKey is KZXUISVBJIJZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2/c1-3-4-5-6(12)9-7-10-11-8(13-2)14-7/h3-5H2,1-2H3,(H,9,10,12).
What are the key properties of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide?
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide has a molecular weight of 231.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide is sourced from PubChem (CID 5179103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).