2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C11H13N3O2S2 — CID 8892098

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1nccs1
InChIInChI=1S/C11H13N3O2S2/c1-7-9(8(2)16-14-7)5-17-6-10(15)13-11-12-3-4-18-11/h3-4H,5-6H2,1-2H3,(H,12,13,15)
InChIKeyFWDIOQWQSRCXAJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.62
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 8892098) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID8892098
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1nccs1
InChIInChI=1S/C11H13N3O2S2/c1-7-9(8(2)16-14-7)5-17-6-10(15)13-11-12-3-4-18-11/h3-4H,5-6H2,1-2H3,(H,12,13,15)
InChIKeyFWDIOQWQSRCXAJ-UHFFFAOYSA-N
XLogP2.62
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 8892098) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide is Cc1noc(C)c1CSCC(=O)Nc1nccs1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FWDIOQWQSRCXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-7-9(8(2)16-14-7)5-17-6-10(15)13-11-12-3-4-18-11/h3-4H,5-6H2,1-2H3,(H,12,13,15).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 283.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 8892098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).