2-amino-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide

C9H15N3O2S — CID 106925076

IUPAC2-amino-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
SMILESCc1coc(SCCC(C)(N)C(N)=O)n1
InChIInChI=1S/C9H15N3O2S/c1-6-5-14-8(12-6)15-4-3-9(2,11)7(10)13/h5H,3-4,11H2,1-2H3,(H2,10,13)
InChIKeyAMSRSQAVYFDEFD-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.67
Rot. Bonds5

About 2-amino-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide

2-amino-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide (PubChem CID 106925076) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide.

Molecular Properties

Compound Name2-amino-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
PubChem CID106925076
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-amino-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
SMILESCc1coc(SCCC(C)(N)C(N)=O)n1
InChIInChI=1S/C9H15N3O2S/c1-6-5-14-8(12-6)15-4-3-9(2,11)7(10)13/h5H,3-4,11H2,1-2H3,(H2,10,13)
InChIKeyAMSRSQAVYFDEFD-UHFFFAOYSA-N
XLogP0.67
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide?
The IUPAC name of 2-amino-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide (CID 106925076) is 2-amino-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide.
What is the SMILES notation for 2-amino-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide?
The canonical SMILES for 2-amino-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide is Cc1coc(SCCC(C)(N)C(N)=O)n1.
What is the InChIKey of 2-amino-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide?
The InChIKey is AMSRSQAVYFDEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6-5-14-8(12-6)15-4-3-9(2,11)7(10)13/h5H,3-4,11H2,1-2H3,(H2,10,13).
What are the key properties of 2-amino-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide?
2-amino-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide has a molecular weight of 229.30 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide is sourced from PubChem (CID 106925076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).