3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide

C9H13N3O2S — CID 106388530

IUPAC3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
SMILESCc1cnc(C(C)NC(=O)CC(N)=S)o1
InChIInChI=1S/C9H13N3O2S/c1-5-4-11-9(14-5)6(2)12-8(13)3-7(10)15/h4,6H,3H2,1-2H3,(H2,10,15)(H,12,13)
InChIKeyLPGOIHFYUCOYOK-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.84
Rot. Bonds4

About 3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide

3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide (PubChem CID 106388530) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
PubChem CID106388530
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
SMILESCc1cnc(C(C)NC(=O)CC(N)=S)o1
InChIInChI=1S/C9H13N3O2S/c1-5-4-11-9(14-5)6(2)12-8(13)3-7(10)15/h4,6H,3H2,1-2H3,(H2,10,15)(H,12,13)
InChIKeyLPGOIHFYUCOYOK-UHFFFAOYSA-N
XLogP0.84
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
3-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 106388299
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752
2-carbamothioyl-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 114182415
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 104920659
2-anilino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 106388442
2-(1-aminocyclobutyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 106388275
3-(4-aminophenoxy)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106387462
5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 106388099
4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide
CID 106388297
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094
3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388092

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide (CID 106388530) is 3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide is Cc1cnc(C(C)NC(=O)CC(N)=S)o1.
What is the InChIKey of 3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide?
The InChIKey is LPGOIHFYUCOYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-5-4-11-9(14-5)6(2)12-8(13)3-7(10)15/h4,6H,3H2,1-2H3,(H2,10,15)(H,12,13).
What are the key properties of 3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide?
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide has a molecular weight of 227.29 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide is sourced from PubChem (CID 106388530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).