3-(1,2,4-thiadiazol-5-ylamino)butanamide

C6H10N4OS — CID 115777443

IUPAC3-(1,2,4-thiadiazol-5-ylamino)butanamide
SMILESCC(CC(N)=O)Nc1ncns1
InChIInChI=1S/C6H10N4OS/c1-4(2-5(7)11)10-6-8-3-9-12-6/h3-4H,2H2,1H3,(H2,7,11)(H,8,9,10)
InChIKeyZGSQDTNWUFCEIB-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.21
Rot. Bonds4

About 3-(1,2,4-thiadiazol-5-ylamino)butanamide

3-(1,2,4-thiadiazol-5-ylamino)butanamide (PubChem CID 115777443) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-(1,2,4-thiadiazol-5-ylamino)butanamide.

Molecular Properties

Compound Name3-(1,2,4-thiadiazol-5-ylamino)butanamide
PubChem CID115777443
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name3-(1,2,4-thiadiazol-5-ylamino)butanamide
SMILESCC(CC(N)=O)Nc1ncns1
InChIInChI=1S/C6H10N4OS/c1-4(2-5(7)11)10-6-8-3-9-12-6/h3-4H,2H2,1H3,(H2,7,11)(H,8,9,10)
InChIKeyZGSQDTNWUFCEIB-UHFFFAOYSA-N
XLogP0.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-thiadiazol-5-ylamino)butanamide?
The IUPAC name of 3-(1,2,4-thiadiazol-5-ylamino)butanamide (CID 115777443) is 3-(1,2,4-thiadiazol-5-ylamino)butanamide.
What is the SMILES notation for 3-(1,2,4-thiadiazol-5-ylamino)butanamide?
The canonical SMILES for 3-(1,2,4-thiadiazol-5-ylamino)butanamide is CC(CC(N)=O)Nc1ncns1.
What is the InChIKey of 3-(1,2,4-thiadiazol-5-ylamino)butanamide?
The InChIKey is ZGSQDTNWUFCEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-4(2-5(7)11)10-6-8-3-9-12-6/h3-4H,2H2,1H3,(H2,7,11)(H,8,9,10).
What are the key properties of 3-(1,2,4-thiadiazol-5-ylamino)butanamide?
3-(1,2,4-thiadiazol-5-ylamino)butanamide has a molecular weight of 186.24 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-thiadiazol-5-ylamino)butanamide is sourced from PubChem (CID 115777443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).