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

C7H11N3O2S — CID 99789680

IUPAC4-methoxy-N-(thiadiazol-5-yl)butanamide
SMILESCOCCCC(=O)Nc1cnns1
InChIInChI=1S/C7H11N3O2S/c1-12-4-2-3-6(11)9-7-5-8-10-13-7/h5H,2-4H2,1H3,(H,9,11)
InChIKeyJSSLCJRHCWGPGY-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.90
Rot. Bonds5

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

4-methoxy-N-(thiadiazol-5-yl)butanamide (PubChem CID 99789680) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-methoxy-N-(thiadiazol-5-yl)butanamide.

Molecular Properties

Compound Name4-methoxy-N-(thiadiazol-5-yl)butanamide
PubChem CID99789680
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name4-methoxy-N-(thiadiazol-5-yl)butanamide
SMILESCOCCCC(=O)Nc1cnns1
InChIInChI=1S/C7H11N3O2S/c1-12-4-2-3-6(11)9-7-5-8-10-13-7/h5H,2-4H2,1H3,(H,9,11)
InChIKeyJSSLCJRHCWGPGY-UHFFFAOYSA-N
XLogP0.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.90
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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Related Compounds

3,3-difluoro-N-(thiadiazol-5-yl)butanamide
CID 131132232
butyric acid-N-(1,2,3-thiadiazole-5-yl)-amide
CID 20432881
N-(thiadiazol-5-yl)propanamide
CID 103846147
4-Oxo-4-(thiadiazol-5-ylamino)butanoic acid
CID 82671120
5-methoxy-N-(thiadiazol-5-yl)pentanamide
CID 86818192
3-methoxy-2-methyl-N-(thiadiazol-5-yl)propanamide
CID 91652293
(2S)-3-methoxy-2-methyl-N-(thiadiazol-5-yl)propanamide
CID 99825110
(2R)-3-methoxy-2-methyl-N-(thiadiazol-5-yl)propanamide
CID 99825111
4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide
CID 99826256
2-methoxy-N-(thiadiazol-5-yl)propanamide
CID 102707087
N-(thiadiazol-5-yl)cyclopropanecarboxamide
CID 102707088
2,2-dimethyl-N-(thiadiazol-5-yl)propanamide
CID 102979104

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(thiadiazol-5-yl)butanamide?
The IUPAC name of 4-methoxy-N-(thiadiazol-5-yl)butanamide (CID 99789680) is 4-methoxy-N-(thiadiazol-5-yl)butanamide.
What is the SMILES notation for 4-methoxy-N-(thiadiazol-5-yl)butanamide?
The canonical SMILES for 4-methoxy-N-(thiadiazol-5-yl)butanamide is COCCCC(=O)Nc1cnns1.
What is the InChIKey of 4-methoxy-N-(thiadiazol-5-yl)butanamide?
The InChIKey is JSSLCJRHCWGPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/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-methoxy-N-(thiadiazol-5-yl)butanamide?
4-methoxy-N-(thiadiazol-5-yl)butanamide has a molecular weight of 201.25 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(thiadiazol-5-yl)butanamide is sourced from PubChem (CID 99789680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).