1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethanone

C12H10ClNOS — CID 2799112

IUPAC1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethanone
SMILESCC(=O)C1=CN=C(c2ccc(Cl)cc2)SC1
InChIInChI=1S/C12H10ClNOS/c1-8(15)10-6-14-12(16-7-10)9-2-4-11(13)5-3-9/h2-6H,7H2,1H3
InChIKeyNEKOTKLWPGNIOI-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.31
Rot. Bonds2

About 1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethanone

1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethanone (PubChem CID 2799112) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethanone
PubChem CID2799112
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC Name1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethanone
SMILESCC(=O)C1=CN=C(c2ccc(Cl)cc2)SC1
InChIInChI=1S/C12H10ClNOS/c1-8(15)10-6-14-12(16-7-10)9-2-4-11(13)5-3-9/h2-6H,7H2,1H3
InChIKeyNEKOTKLWPGNIOI-UHFFFAOYSA-N
XLogP3.31
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethanone?
The IUPAC name of 1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethanone (CID 2799112) is 1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethanone is CC(=O)C1=CN=C(c2ccc(Cl)cc2)SC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethanone?
The InChIKey is NEKOTKLWPGNIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c1-8(15)10-6-14-12(16-7-10)9-2-4-11(13)5-3-9/h2-6H,7H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethanone?
1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethanone has a molecular weight of 251.74 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-6H-1,3-thiazin-5-yl]ethanone is sourced from PubChem (CID 2799112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).