2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide

C11H11N3OS2 — CID 2224656

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide
SMILESCc1csc(SCC(=O)Nc2ccccn2)n1
InChIInChI=1S/C11H11N3OS2/c1-8-6-16-11(13-8)17-7-10(15)14-9-4-2-3-5-12-9/h2-6H,7H2,1H3,(H,12,14,15)
InChIKeyKGAQSNYILYUXDJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.58
Rot. Bonds4

About 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide (PubChem CID 2224656) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide
PubChem CID2224656
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide
SMILESCc1csc(SCC(=O)Nc2ccccn2)n1
InChIInChI=1S/C11H11N3OS2/c1-8-6-16-11(13-8)17-7-10(15)14-9-4-2-3-5-12-9/h2-6H,7H2,1H3,(H,12,14,15)
InChIKeyKGAQSNYILYUXDJ-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide (CID 2224656) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide is Cc1csc(SCC(=O)Nc2ccccn2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The InChIKey is KGAQSNYILYUXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c1-8-6-16-11(13-8)17-7-10(15)14-9-4-2-3-5-12-9/h2-6H,7H2,1H3,(H,12,14,15).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide has a molecular weight of 265.36 g/mol, XLogP of 2.58, 4 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-pyridin-2-ylacetamide is sourced from PubChem (CID 2224656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).