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

C7H12N4OS — CID 115976440

IUPAC2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
SMILESCCC(N)C(=O)Nc1nc(C)ns1
InChIInChI=1S/C7H12N4OS/c1-3-5(8)6(12)10-7-9-4(2)11-13-7/h5H,3,8H2,1-2H3,(H,9,10,11,12)
InChIKeyNBTDGDIYQMDYFT-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.52
Rot. Bonds3

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

2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide (PubChem CID 115976440) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
PubChem CID115976440
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
SMILESCCC(N)C(=O)Nc1nc(C)ns1
InChIInChI=1S/C7H12N4OS/c1-3-5(8)6(12)10-7-9-4(2)11-13-7/h5H,3,8H2,1-2H3,(H,9,10,11,12)
InChIKeyNBTDGDIYQMDYFT-UHFFFAOYSA-N
XLogP0.52
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide?
The IUPAC name of 2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide (CID 115976440) is 2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide.
What is the SMILES notation for 2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide?
The canonical SMILES for 2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide is CCC(N)C(=O)Nc1nc(C)ns1.
What is the InChIKey of 2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide?
The InChIKey is NBTDGDIYQMDYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-3-5(8)6(12)10-7-9-4(2)11-13-7/h5H,3,8H2,1-2H3,(H,9,10,11,12).
What are the key properties of 2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide?
2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide has a molecular weight of 200.27 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide is sourced from PubChem (CID 115976440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).