N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide

C11H11N3OS2 — CID 5329697

IUPACN-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCc2ccccn2)s1
InChIInChI=1S/C11H11N3OS2/c1-8(15)14-11-13-6-10(17-11)16-7-9-4-2-3-5-12-9/h2-6H,7H2,1H3,(H,13,14,15)
InChIKeyQBIJITXIGVYJRO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.79
Rot. Bonds4

About N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide

N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 5329697) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide
PubChem CID5329697
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC NameN-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCc2ccccn2)s1
InChIInChI=1S/C11H11N3OS2/c1-8(15)14-11-13-6-10(17-11)16-7-9-4-2-3-5-12-9/h2-6H,7H2,1H3,(H,13,14,15)
InChIKeyQBIJITXIGVYJRO-UHFFFAOYSA-N
XLogP2.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]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 N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide (CID 5329697) is N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(SCc2ccccn2)s1.
What is the InChIKey of N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is QBIJITXIGVYJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c1-8(15)14-11-13-6-10(17-11)16-7-9-4-2-3-5-12-9/h2-6H,7H2,1H3,(H,13,14,15).
What are the key properties of N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5329697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).