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

C8H14N4OS — CID 103894668

IUPAC3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide
SMILESCc1nsc(NC(C(N)=O)C(C)C)n1
InChIInChI=1S/C8H14N4OS/c1-4(2)6(7(9)13)11-8-10-5(3)12-14-8/h4,6H,1-3H3,(H2,9,13)(H,10,11,12)
InChIKeyVQXYONZIUMIZKK-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.77
Rot. Bonds4

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

3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide (PubChem CID 103894668) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide
PubChem CID103894668
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide
SMILESCc1nsc(NC(C(N)=O)C(C)C)n1
InChIInChI=1S/C8H14N4OS/c1-4(2)6(7(9)13)11-8-10-5(3)12-14-8/h4,6H,1-3H3,(H2,9,13)(H,10,11,12)
InChIKeyVQXYONZIUMIZKK-UHFFFAOYSA-N
XLogP0.77
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide?
The IUPAC name of 3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide (CID 103894668) is 3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide.
What is the SMILES notation for 3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide?
The canonical SMILES for 3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide is Cc1nsc(NC(C(N)=O)C(C)C)n1.
What is the InChIKey of 3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide?
The InChIKey is VQXYONZIUMIZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-4(2)6(7(9)13)11-8-10-5(3)12-14-8/h4,6H,1-3H3,(H2,9,13)(H,10,11,12).
What are the key properties of 3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide?
3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide has a molecular weight of 214.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide is sourced from PubChem (CID 103894668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).