N-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide

C12H13ClN2OS — CID 1431156

IUPACN-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide
SMILESCC(=O)N(C1=NCCCS1)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2OS/c1-9(16)15(12-14-7-2-8-17-12)11-5-3-10(13)4-6-11/h3-6H,2,7-8H2,1H3
InChIKeyJTWSIIFTQXMSOT-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.19
Rot. Bonds1

About N-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide

N-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide (PubChem CID 1431156) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide
PubChem CID1431156
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC NameN-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide
SMILESCC(=O)N(C1=NCCCS1)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2OS/c1-9(16)15(12-14-7-2-8-17-12)11-5-3-10(13)4-6-11/h3-6H,2,7-8H2,1H3
InChIKeyJTWSIIFTQXMSOT-UHFFFAOYSA-N
XLogP3.19
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide (CID 1431156) is N-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide is CC(=O)N(C1=NCCCS1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide?
The InChIKey is JTWSIIFTQXMSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-9(16)15(12-14-7-2-8-17-12)11-5-3-10(13)4-6-11/h3-6H,2,7-8H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide?
N-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide has a molecular weight of 268.77 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide is sourced from PubChem (CID 1431156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).