1-(2,3-dihydro-1,4-thiazin-4-yl)ethanone

C6H9NOS — CID 56637425

IUPAC1-(2,3-dihydro-1,4-thiazin-4-yl)ethanone
SMILESCC(=O)N1C=CSCC1
InChIInChI=1S/C6H9NOS/c1-6(8)7-2-4-9-5-3-7/h2,4H,3,5H2,1H3
InChIKeyNUJBOIFUZRGRAR-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.05
Rot. Bonds

About 1-(2,3-dihydro-1,4-thiazin-4-yl)ethanone

1-(2,3-dihydro-1,4-thiazin-4-yl)ethanone (PubChem CID 56637425) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-thiazin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-thiazin-4-yl)ethanone
PubChem CID56637425
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name1-(2,3-dihydro-1,4-thiazin-4-yl)ethanone
SMILESCC(=O)N1C=CSCC1
InChIInChI=1S/C6H9NOS/c1-6(8)7-2-4-9-5-3-7/h2,4H,3,5H2,1H3
InChIKeyNUJBOIFUZRGRAR-UHFFFAOYSA-N
XLogP1.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-thiazin-4-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1,4-thiazin-4-yl)ethanone (CID 56637425) is 1-(2,3-dihydro-1,4-thiazin-4-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1,4-thiazin-4-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1,4-thiazin-4-yl)ethanone is CC(=O)N1C=CSCC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-thiazin-4-yl)ethanone?
The InChIKey is NUJBOIFUZRGRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-6(8)7-2-4-9-5-3-7/h2,4H,3,5H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-thiazin-4-yl)ethanone?
1-(2,3-dihydro-1,4-thiazin-4-yl)ethanone has a molecular weight of 143.21 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-thiazin-4-yl)ethanone is sourced from PubChem (CID 56637425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).