2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2H-triazol-4-ylmethyl)acetamide

C13H13N5O2S2 — CID 75494573

IUPAC2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2H-triazol-4-ylmethyl)acetamide
SMILESO=C(CSCc1cc(-c2cccs2)on1)NCc1cn[nH]n1
InChIInChI=1S/C13H13N5O2S2/c19-13(14-5-10-6-15-18-16-10)8-21-7-9-4-11(20-17-9)12-2-1-3-22-12/h1-4,6H,5,7-8H2,(H,14,19)(H,15,16,18)
InChIKeyMEIYGFVZAOJVBL-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.07
Rot. Bonds7

About 2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2H-triazol-4-ylmethyl)acetamide

2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2H-triazol-4-ylmethyl)acetamide (PubChem CID 75494573) has the molecular formula C13H13N5O2S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2H-triazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2H-triazol-4-ylmethyl)acetamide
PubChem CID75494573
Molecular FormulaC13H13N5O2S2
Molecular Weight335.41 g/mol
Exact Mass335.05
IUPAC Name2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2H-triazol-4-ylmethyl)acetamide
SMILESO=C(CSCc1cc(-c2cccs2)on1)NCc1cn[nH]n1
InChIInChI=1S/C13H13N5O2S2/c19-13(14-5-10-6-15-18-16-10)8-21-7-9-4-11(20-17-9)12-2-1-3-22-12/h1-4,6H,5,7-8H2,(H,14,19)(H,15,16,18)
InChIKeyMEIYGFVZAOJVBL-UHFFFAOYSA-N
XLogP2.07
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2H-triazol-4-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pyridin-4-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide
CID 49016833
N-[4-(2-methylsulfanylethyl)phenyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide
CID 86885155
2,2-dimethyl-N-[2-methyl-5-[[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetyl]amino]phenyl]propanamide
CID 86934488
[4-(ethylcarbamoyl)phenyl] 2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetate
CID 86960884
1-(2,6-dimethylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone
CID 49014043
2-(4-methoxyphenoxy)-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide
CID 16867657
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone
CID 86873492
2-(3-methoxyphenoxy)-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide
CID 16867656
3-(butylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole
CID 112795792
N-[(4-propan-2-yloxyphenyl)methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 17254235
N-pyridin-3-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879560
2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54885294

Frequently Asked Questions

What is the IUPAC name of 2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2H-triazol-4-ylmethyl)acetamide?
The IUPAC name of 2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2H-triazol-4-ylmethyl)acetamide (CID 75494573) is 2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2H-triazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2H-triazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2H-triazol-4-ylmethyl)acetamide is O=C(CSCc1cc(-c2cccs2)on1)NCc1cn[nH]n1.
What is the InChIKey of 2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2H-triazol-4-ylmethyl)acetamide?
The InChIKey is MEIYGFVZAOJVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S2/c19-13(14-5-10-6-15-18-16-10)8-21-7-9-4-11(20-17-9)12-2-1-3-22-12/h1-4,6H,5,7-8H2,(H,14,19)(H,15,16,18).
What are the key properties of 2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2H-triazol-4-ylmethyl)acetamide?
2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2H-triazol-4-ylmethyl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2H-triazol-4-ylmethyl)acetamide is sourced from PubChem (CID 75494573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).