5-(3-chlorophenyl)-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one

C10H9ClN2OS — CID 13365855

IUPAC5-(3-chlorophenyl)-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
SMILESCC1SC(=O)NN=C1c1cccc(Cl)c1
InChIInChI=1S/C10H9ClN2OS/c1-6-9(12-13-10(14)15-6)7-3-2-4-8(11)5-7/h2-6H,1H3,(H,13,14)
InChIKeyPCDPXZZVKZBZEG-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.89
Rot. Bonds1

About 5-(3-chlorophenyl)-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one

5-(3-chlorophenyl)-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one (PubChem CID 13365855) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
PubChem CID13365855
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name5-(3-chlorophenyl)-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
SMILESCC1SC(=O)NN=C1c1cccc(Cl)c1
InChIInChI=1S/C10H9ClN2OS/c1-6-9(12-13-10(14)15-6)7-3-2-4-8(11)5-7/h2-6H,1H3,(H,13,14)
InChIKeyPCDPXZZVKZBZEG-UHFFFAOYSA-N
XLogP2.89
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-[5-(6-methyl-2-oxo-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-oxo-1H-indol-3-ylidene]propanedinitrile
CID 54472497
5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 13365909
2-(3-chlorophenyl)-4H-1,3,4-oxadiazin-5-one
CID 13365861
5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione
CID 132588453
3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135957060
2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one
CID 6488951
methyl N'-[2-[4-(6-methyl-2-oxo-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-nitroanilino]ethyl]carbamimidothioate;hydroiodide
CID 173370982
4-(3-chlorophenyl)-5-methylpyrazol-3-one
CID 23330088
5-(3-chlorophenyl)-2-methyl-1H-pyrimidin-6-one
CID 117260709
5-(3-chlorophenyl)-2-methyl-1H-pyrazol-3-one
CID 118542407
2-(3-chlorophenyl)-1H-pyridin-4-one
CID 53229265
3-(3-chlorophenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
CID 117142187

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one?
The IUPAC name of 5-(3-chlorophenyl)-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one (CID 13365855) is 5-(3-chlorophenyl)-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one.
What is the SMILES notation for 5-(3-chlorophenyl)-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one?
The canonical SMILES for 5-(3-chlorophenyl)-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one is CC1SC(=O)NN=C1c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one?
The InChIKey is PCDPXZZVKZBZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-6-9(12-13-10(14)15-6)7-3-2-4-8(11)5-7/h2-6H,1H3,(H,13,14).
What are the key properties of 5-(3-chlorophenyl)-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one?
5-(3-chlorophenyl)-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one has a molecular weight of 240.72 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one is sourced from PubChem (CID 13365855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).