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

C6H9N3O2S — CID 106920732

IUPAC2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanamide
SMILESNC(=O)C(N)CSc1ncco1
InChIInChI=1S/C6H9N3O2S/c7-4(5(8)10)3-12-6-9-1-2-11-6/h1-2,4H,3,7H2,(H2,8,10)
InChIKeyTUCVVTKJYUAIHE-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.42
Rot. Bonds4

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

2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanamide (PubChem CID 106920732) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanamide
PubChem CID106920732
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanamide
SMILESNC(=O)C(N)CSc1ncco1
InChIInChI=1S/C6H9N3O2S/c7-4(5(8)10)3-12-6-9-1-2-11-6/h1-2,4H,3,7H2,(H2,8,10)
InChIKeyTUCVVTKJYUAIHE-UHFFFAOYSA-N
XLogP-0.42
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanamide?
The IUPAC name of 2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanamide (CID 106920732) is 2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for 2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanamide?
The canonical SMILES for 2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanamide is NC(=O)C(N)CSc1ncco1.
What is the InChIKey of 2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanamide?
The InChIKey is TUCVVTKJYUAIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c7-4(5(8)10)3-12-6-9-1-2-11-6/h1-2,4H,3,7H2,(H2,8,10).
What are the key properties of 2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanamide?
2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanamide has a molecular weight of 187.22 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 106920732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).