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

C8H12N2O2S — CID 106390070

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
SMILESCc1cnc(C(C)NC(=O)CS)o1
InChIInChI=1S/C8H12N2O2S/c1-5-3-9-8(12-5)6(2)10-7(11)4-13/h3,6,13H,4H2,1-2H3,(H,10,11)
InChIKeyYBCFEQDPQZSVNZ-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.09
Rot. Bonds3

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

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide (PubChem CID 106390070) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
PubChem CID106390070
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
SMILESCc1cnc(C(C)NC(=O)CS)o1
InChIInChI=1S/C8H12N2O2S/c1-5-3-9-8(12-5)6(2)10-7(11)4-13/h3,6,13H,4H2,1-2H3,(H,10,11)
InChIKeyYBCFEQDPQZSVNZ-UHFFFAOYSA-N
XLogP1.09
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
CID 106388530
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 104920659
3-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 106388299
5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 106388099
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
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
1-ethyl-1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103952282
4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide
CID 106388297
3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388098

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide (CID 106390070) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide is Cc1cnc(C(C)NC(=O)CS)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide?
The InChIKey is YBCFEQDPQZSVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5-3-9-8(12-5)6(2)10-7(11)4-13/h3,6,13H,4H2,1-2H3,(H,10,11).
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide has a molecular weight of 200.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide is sourced from PubChem (CID 106390070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).