3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide

C8H11N3O2S — CID 106417909

IUPAC3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide
SMILESCC(C(=O)NCc1ccno1)C(N)=S
InChIInChI=1S/C8H11N3O2S/c1-5(7(9)14)8(12)10-4-6-2-3-11-13-6/h2-3,5H,4H2,1H3,(H2,9,14)(H,10,12)
InChIKeyDYTCSQNIHIFFCK-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.21
Rot. Bonds4

About 3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide

3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide (PubChem CID 106417909) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide
PubChem CID106417909
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide
SMILESCC(C(=O)NCc1ccno1)C(N)=S
InChIInChI=1S/C8H11N3O2S/c1-5(7(9)14)8(12)10-4-6-2-3-11-13-6/h2-3,5H,4H2,1H3,(H2,9,14)(H,10,12)
InChIKeyDYTCSQNIHIFFCK-UHFFFAOYSA-N
XLogP0.21
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.21
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

(2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide
CID 106416982
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
4-carbamothioyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114186280
(2S)-2-amino-4-methylsulfanyl-N-(1,2-oxazol-5-ylmethyl)butanamide
CID 106417251
2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide
CID 114186807
1-methyl-3-(1,2-oxazol-5-ylmethyl)thiourea
CID 106415527
N-methyl-1-(1,2-oxazol-5-yl)methanamine
CID 23006271
2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide
CID 103605518
3-amino-2-methyl-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880982
2-(1,2-oxazol-5-ylmethylamino)butanamide
CID 106417605
3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide
CID 106417021
2-(1,2-oxazol-5-ylmethylamino)acetamide
CID 103605544

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide (CID 106417909) is 3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide is CC(C(=O)NCc1ccno1)C(N)=S.
What is the InChIKey of 3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide?
The InChIKey is DYTCSQNIHIFFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-5(7(9)14)8(12)10-4-6-2-3-11-13-6/h2-3,5H,4H2,1H3,(H2,9,14)(H,10,12).
What are the key properties of 3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide?
3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide has a molecular weight of 213.26 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 106417909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).