(2S)-2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide

C7H12N4OS — CID 104982919

IUPAC(2S)-2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cnns1
InChIInChI=1S/C7H12N4OS/c1-4(2)6(8)7(12)10-5-3-9-11-13-5/h3-4,6H,8H2,1-2H3,(H,10,12)/t6-/m0/s1
InChIKeyBXIMAUIGRMHCBB-LURJTMIESA-N
MW200.27 g/mol
LogP0.46
Rot. Bonds3

About (2S)-2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide

(2S)-2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide (PubChem CID 104982919) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide
PubChem CID104982919
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name(2S)-2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cnns1
InChIInChI=1S/C7H12N4OS/c1-4(2)6(8)7(12)10-5-3-9-11-13-5/h3-4,6H,8H2,1-2H3,(H,10,12)/t6-/m0/s1
InChIKeyBXIMAUIGRMHCBB-LURJTMIESA-N
XLogP0.46
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide (CID 104982919) is (2S)-2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide is CC(C)[C@H](N)C(=O)Nc1cnns1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide?
The InChIKey is BXIMAUIGRMHCBB-LURJTMIESA-N. The full InChI is InChI=1S/C7H12N4OS/c1-4(2)6(8)7(12)10-5-3-9-11-13-5/h3-4,6H,8H2,1-2H3,(H,10,12)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide?
(2S)-2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide has a molecular weight of 200.27 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide is sourced from PubChem (CID 104982919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).