2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide

C15H20N2O2S2 — CID 78807173

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
SMILESCc1noc(C)c1CSC(C)C(=O)NCCc1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-10-14(11(2)19-17-10)9-21-12(3)15(18)16-7-6-13-5-4-8-20-13/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyCHQTZBGIXKAORL-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.33
Rot. Bonds7

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 78807173) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID78807173
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
SMILESCc1noc(C)c1CSC(C)C(=O)NCCc1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-10-14(11(2)19-17-10)9-21-12(3)15(18)16-7-6-13-5-4-8-20-13/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyCHQTZBGIXKAORL-UHFFFAOYSA-N
XLogP3.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 86915899
(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 8552521
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110646267
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46646744
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 87033792
(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 8621528
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 78806436
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287476
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111764426
5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51072498
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 78772602
(2R)-2-[(4-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 125142463

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide (CID 78807173) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide is Cc1noc(C)c1CSC(C)C(=O)NCCc1cccs1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is CHQTZBGIXKAORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-10-14(11(2)19-17-10)9-21-12(3)15(18)16-7-6-13-5-4-8-20-13/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 324.47 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 78807173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).