2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C11H12N2OS3 — CID 2532748

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1csc(SCC(=O)NCc2cccs2)n1
InChIInChI=1S/C11H12N2OS3/c1-8-6-16-11(13-8)17-7-10(14)12-5-9-3-2-4-15-9/h2-4,6H,5,7H2,1H3,(H,12,14)
InChIKeyRPJRAMBHEMVZCE-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.92
Rot. Bonds5

About 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2532748) has the molecular formula C11H12N2OS3 and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2532748
Molecular FormulaC11H12N2OS3
Molecular Weight284.43 g/mol
Exact Mass284.01
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1csc(SCC(=O)NCc2cccs2)n1
InChIInChI=1S/C11H12N2OS3/c1-8-6-16-11(13-8)17-7-10(14)12-5-9-3-2-4-15-9/h2-4,6H,5,7H2,1H3,(H,12,14)
InChIKeyRPJRAMBHEMVZCE-UHFFFAOYSA-N
XLogP2.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 2532748) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is Cc1csc(SCC(=O)NCc2cccs2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is RPJRAMBHEMVZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS3/c1-8-6-16-11(13-8)17-7-10(14)12-5-9-3-2-4-15-9/h2-4,6H,5,7H2,1H3,(H,12,14).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 284.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2532748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).