(2R)-2-amino-4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide

C7H12N4OS2 — CID 104982923

IUPAC(2R)-2-amino-4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide
SMILESCSCC[C@@H](N)C(=O)Nc1cnns1
InChIInChI=1S/C7H12N4OS2/c1-13-3-2-5(8)7(12)10-6-4-9-11-14-6/h4-5H,2-3,8H2,1H3,(H,10,12)/t5-/m1/s1
InChIKeySZIOURNMPLFMMR-RXMQYKEDSA-N
MW232.33 g/mol
LogP0.56
Rot. Bonds5

About (2R)-2-amino-4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide

(2R)-2-amino-4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide (PubChem CID 104982923) has the molecular formula C7H12N4OS2 and a molecular weight of 232.33 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide
PubChem CID104982923
Molecular FormulaC7H12N4OS2
Molecular Weight232.33 g/mol
Exact Mass232.05
IUPAC Name(2R)-2-amino-4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide
SMILESCSCC[C@@H](N)C(=O)Nc1cnns1
InChIInChI=1S/C7H12N4OS2/c1-13-3-2-5(8)7(12)10-6-4-9-11-14-6/h4-5H,2-3,8H2,1H3,(H,10,12)/t5-/m1/s1
InChIKeySZIOURNMPLFMMR-RXMQYKEDSA-N
XLogP0.56
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide?
The IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide (CID 104982923) is (2R)-2-amino-4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide?
The canonical SMILES for (2R)-2-amino-4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide is CSCC[C@@H](N)C(=O)Nc1cnns1.
What is the InChIKey of (2R)-2-amino-4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide?
The InChIKey is SZIOURNMPLFMMR-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12N4OS2/c1-13-3-2-5(8)7(12)10-6-4-9-11-14-6/h4-5H,2-3,8H2,1H3,(H,10,12)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide?
(2R)-2-amino-4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide has a molecular weight of 232.33 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylsulfanyl-N-(thiadiazol-5-yl)butanamide is sourced from PubChem (CID 104982923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).