2-(1,4-thiazin-4-yl)acetamide

C6H8N2OS — CID 174271444

IUPAC2-(1,4-thiazin-4-yl)acetamide
SMILESNC(=O)CN1C=CSC=C1
InChIInChI=1S/C6H8N2OS/c7-6(9)5-8-1-3-10-4-2-8/h1-4H,5H2,(H2,7,9)
InChIKeyASRNWJYWYRFNCR-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.46
Rot. Bonds2

About 2-(1,4-thiazin-4-yl)acetamide

2-(1,4-thiazin-4-yl)acetamide (PubChem CID 174271444) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-(1,4-thiazin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,4-thiazin-4-yl)acetamide
PubChem CID174271444
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name2-(1,4-thiazin-4-yl)acetamide
SMILESNC(=O)CN1C=CSC=C1
InChIInChI=1S/C6H8N2OS/c7-6(9)5-8-1-3-10-4-2-8/h1-4H,5H2,(H2,7,9)
InChIKeyASRNWJYWYRFNCR-UHFFFAOYSA-N
XLogP0.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-thiazin-4-yl)acetamide?
The IUPAC name of 2-(1,4-thiazin-4-yl)acetamide (CID 174271444) is 2-(1,4-thiazin-4-yl)acetamide.
What is the SMILES notation for 2-(1,4-thiazin-4-yl)acetamide?
The canonical SMILES for 2-(1,4-thiazin-4-yl)acetamide is NC(=O)CN1C=CSC=C1.
What is the InChIKey of 2-(1,4-thiazin-4-yl)acetamide?
The InChIKey is ASRNWJYWYRFNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c7-6(9)5-8-1-3-10-4-2-8/h1-4H,5H2,(H2,7,9).
What are the key properties of 2-(1,4-thiazin-4-yl)acetamide?
2-(1,4-thiazin-4-yl)acetamide has a molecular weight of 156.21 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-thiazin-4-yl)acetamide is sourced from PubChem (CID 174271444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).