2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide

C7H11N3O2S — CID 106924974

IUPAC2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide
SMILESCC(N)(CSc1ncco1)C(N)=O
InChIInChI=1S/C7H11N3O2S/c1-7(9,5(8)11)4-13-6-10-2-3-12-6/h2-3H,4,9H2,1H3,(H2,8,11)
InChIKeyZQQYVJZNTUKYKL-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.03
Rot. Bonds4

About 2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide

2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide (PubChem CID 106924974) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide
PubChem CID106924974
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide
SMILESCC(N)(CSc1ncco1)C(N)=O
InChIInChI=1S/C7H11N3O2S/c1-7(9,5(8)11)4-13-6-10-2-3-12-6/h2-3H,4,9H2,1H3,(H2,8,11)
InChIKeyZQQYVJZNTUKYKL-UHFFFAOYSA-N
XLogP-0.03
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.03
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-3-(1,3-oxazol-2-ylsulfanyl)propanamide?
The IUPAC name of 2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide (CID 106924974) is 2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for 2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide?
The canonical SMILES for 2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide is CC(N)(CSc1ncco1)C(N)=O.
What is the InChIKey of 2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide?
The InChIKey is ZQQYVJZNTUKYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-7(9,5(8)11)4-13-6-10-2-3-12-6/h2-3H,4,9H2,1H3,(H2,8,11).
What are the key properties of 2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide?
2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide has a molecular weight of 201.25 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 106924974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).