N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide

C12H13N3OS — CID 5030067

IUPACN-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide
SMILESCC(=O)NC1=NN=C(c2ccc(C)cc2)CS1
InChIInChI=1S/C12H13N3OS/c1-8-3-5-10(6-4-8)11-7-17-12(15-14-11)13-9(2)16/h3-6H,7H2,1-2H3,(H,13,15,16)
InChIKeyHSAZSCKHHGPUCI-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.94
Rot. Bonds1

About N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide

N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide (PubChem CID 5030067) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide
PubChem CID5030067
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide
SMILESCC(=O)NC1=NN=C(c2ccc(C)cc2)CS1
InChIInChI=1S/C12H13N3OS/c1-8-3-5-10(6-4-8)11-7-17-12(15-14-11)13-9(2)16/h3-6H,7H2,1-2H3,(H,13,15,16)
InChIKeyHSAZSCKHHGPUCI-UHFFFAOYSA-N
XLogP1.94
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide?
The IUPAC name of N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide (CID 5030067) is N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide?
The canonical SMILES for N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide is CC(=O)NC1=NN=C(c2ccc(C)cc2)CS1.
What is the InChIKey of N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide?
The InChIKey is HSAZSCKHHGPUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-3-5-10(6-4-8)11-7-17-12(15-14-11)13-9(2)16/h3-6H,7H2,1-2H3,(H,13,15,16).
What are the key properties of N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide?
N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide has a molecular weight of 247.32 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide is sourced from PubChem (CID 5030067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).