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

C8H14N4OS2 — CID 63034349

IUPAC2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
SMILESCNC(CCSc1nnc(C)s1)C(N)=O
InChIInChI=1S/C8H14N4OS2/c1-5-11-12-8(15-5)14-4-3-6(10-2)7(9)13/h6,10H,3-4H2,1-2H3,(H2,9,13)
InChIKeyVZEVFNIRROMFKD-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.40
Rot. Bonds6

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

2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide (PubChem CID 63034349) has the molecular formula C8H14N4OS2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide.

Molecular Properties

Compound Name2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
PubChem CID63034349
Molecular FormulaC8H14N4OS2
Molecular Weight246.36 g/mol
Exact Mass246.06
IUPAC Name2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
SMILESCNC(CCSc1nnc(C)s1)C(N)=O
InChIInChI=1S/C8H14N4OS2/c1-5-11-12-8(15-5)14-4-3-6(10-2)7(9)13/h6,10H,3-4H2,1-2H3,(H2,9,13)
InChIKeyVZEVFNIRROMFKD-UHFFFAOYSA-N
XLogP0.40
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide?
The IUPAC name of 2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide (CID 63034349) is 2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide.
What is the SMILES notation for 2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide?
The canonical SMILES for 2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide is CNC(CCSc1nnc(C)s1)C(N)=O.
What is the InChIKey of 2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide?
The InChIKey is VZEVFNIRROMFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS2/c1-5-11-12-8(15-5)14-4-3-6(10-2)7(9)13/h6,10H,3-4H2,1-2H3,(H2,9,13).
What are the key properties of 2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide?
2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide has a molecular weight of 246.36 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide is sourced from PubChem (CID 63034349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).