4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide

C7H11N3OS2 — CID 99826256

IUPAC4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide
SMILESCSCCCC(=O)Nc1cnns1
InChIInChI=1S/C7H11N3OS2/c1-12-4-2-3-6(11)9-7-5-8-10-13-7/h5H,2-4H2,1H3,(H,9,11)
InChIKeySCRAOLMNUFQECH-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.62
Rot. Bonds5

About 4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide

4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide (PubChem CID 99826256) has the molecular formula C7H11N3OS2 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide
PubChem CID99826256
Molecular FormulaC7H11N3OS2
Molecular Weight217.32 g/mol
Exact Mass217.03
IUPAC Name4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide
SMILESCSCCCC(=O)Nc1cnns1
InChIInChI=1S/C7H11N3OS2/c1-12-4-2-3-6(11)9-7-5-8-10-13-7/h5H,2-4H2,1H3,(H,9,11)
InChIKeySCRAOLMNUFQECH-UHFFFAOYSA-N
XLogP1.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide?
The IUPAC name of 4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide (CID 99826256) is 4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide.
What is the SMILES notation for 4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide?
The canonical SMILES for 4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide is CSCCCC(=O)Nc1cnns1.
What is the InChIKey of 4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide?
The InChIKey is SCRAOLMNUFQECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS2/c1-12-4-2-3-6(11)9-7-5-8-10-13-7/h5H,2-4H2,1H3,(H,9,11).
What are the key properties of 4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide?
4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide has a molecular weight of 217.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide is sourced from PubChem (CID 99826256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).