4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide

C7H12N4OS — CID 65267565

IUPAC4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide
SMILESCc1nsc(NCCCC(N)=O)n1
InChIInChI=1S/C7H12N4OS/c1-5-10-7(13-11-5)9-4-2-3-6(8)12/h2-4H2,1H3,(H2,8,12)(H,9,10,11)
InChIKeyQJWDGOODDNQNEX-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.52
Rot. Bonds5

About 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide

4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide (PubChem CID 65267565) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide
PubChem CID65267565
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide
SMILESCc1nsc(NCCCC(N)=O)n1
InChIInChI=1S/C7H12N4OS/c1-5-10-7(13-11-5)9-4-2-3-6(8)12/h2-4H2,1H3,(H2,8,12)(H,9,10,11)
InChIKeyQJWDGOODDNQNEX-UHFFFAOYSA-N
XLogP0.52
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.52
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

1-[5-(Butylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 3317921
N-(3-Methyl-1,2,4-thiadiazol-5-YL)piperidine-4-carboxamide
CID 91636200
4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
CID 107304739
N-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304879
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
CID 107305174
5-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanamide
CID 114162461
4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 154739989
1-[5-(Propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4275800
N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 20719842
N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide
CID 20719844
N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 20719845
N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide
CID 21688984

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide?
The IUPAC name of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide (CID 65267565) is 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide.
What is the SMILES notation for 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide?
The canonical SMILES for 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide is Cc1nsc(NCCCC(N)=O)n1.
What is the InChIKey of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide?
The InChIKey is QJWDGOODDNQNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-5-10-7(13-11-5)9-4-2-3-6(8)12/h2-4H2,1H3,(H2,8,12)(H,9,10,11).
What are the key properties of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide?
4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide has a molecular weight of 200.27 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide is sourced from PubChem (CID 65267565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).