(2S)-2-amino-N-(thiadiazol-5-yl)butanamide

C6H10N4OS — CID 104982933

IUPAC(2S)-2-amino-N-(thiadiazol-5-yl)butanamide
SMILESCC[C@H](N)C(=O)Nc1cnns1
InChIInChI=1S/C6H10N4OS/c1-2-4(7)6(11)9-5-3-8-10-12-5/h3-4H,2,7H2,1H3,(H,9,11)/t4-/m0/s1
InChIKeyHENCLZIYKYHPHE-BYPYZUCNSA-N
MW186.24 g/mol
LogP0.21
Rot. Bonds3

About (2S)-2-amino-N-(thiadiazol-5-yl)butanamide

(2S)-2-amino-N-(thiadiazol-5-yl)butanamide (PubChem CID 104982933) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is (2S)-2-amino-N-(thiadiazol-5-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(thiadiazol-5-yl)butanamide
PubChem CID104982933
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name(2S)-2-amino-N-(thiadiazol-5-yl)butanamide
SMILESCC[C@H](N)C(=O)Nc1cnns1
InChIInChI=1S/C6H10N4OS/c1-2-4(7)6(11)9-5-3-8-10-12-5/h3-4H,2,7H2,1H3,(H,9,11)/t4-/m0/s1
InChIKeyHENCLZIYKYHPHE-BYPYZUCNSA-N
XLogP0.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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 (2S)-2-amino-N-(thiadiazol-5-yl)butanamide?
The IUPAC name of (2S)-2-amino-N-(thiadiazol-5-yl)butanamide (CID 104982933) is (2S)-2-amino-N-(thiadiazol-5-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(thiadiazol-5-yl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(thiadiazol-5-yl)butanamide is CC[C@H](N)C(=O)Nc1cnns1.
What is the InChIKey of (2S)-2-amino-N-(thiadiazol-5-yl)butanamide?
The InChIKey is HENCLZIYKYHPHE-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-2-4(7)6(11)9-5-3-8-10-12-5/h3-4H,2,7H2,1H3,(H,9,11)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-N-(thiadiazol-5-yl)butanamide?
(2S)-2-amino-N-(thiadiazol-5-yl)butanamide has a molecular weight of 186.24 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(thiadiazol-5-yl)butanamide is sourced from PubChem (CID 104982933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).