2-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide

C13H15N3O2S2 — CID 86793201

IUPAC2-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
SMILESCC1CN(c2nc(-c3ccccc3)ns2)CCS1(=O)=O
InChIInChI=1S/C13H15N3O2S2/c1-10-9-16(7-8-20(10,17)18)13-14-12(15-19-13)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyWGVQWDKZKVEUMK-UHFFFAOYSA-N
MW309.42 g/mol
LogP1.83
Rot. Bonds2

About 2-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide

2-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 86793201) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID86793201
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name2-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
SMILESCC1CN(c2nc(-c3ccccc3)ns2)CCS1(=O)=O
InChIInChI=1S/C13H15N3O2S2/c1-10-9-16(7-8-20(10,17)18)13-14-12(15-19-13)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyWGVQWDKZKVEUMK-UHFFFAOYSA-N
XLogP1.83
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole
CID 2809274
5-Benzylsulfonyl-3-phenyl-1,2,4-thiadiazole
CID 53741612
4-(3-methyl-1,2,4-thiadiazol-5-yl)-3,5-dihydro-2H-1lambda6,4-benzothiazepine 1,1-dioxide
CID 136532819
5-(4-Butylsulfonylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 42774233
3-[(4-Fluorophenyl)methyl]-5-(4-hexylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole
CID 68495401
N,N-Diethyl-3-phenyl-1,2,4-thiadiazol-5-amine
CID 71350016
5-(4-Ethylsulfonylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 3606409
3-[(4-Fluorophenyl)methyl]-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole
CID 4517657
3-(3,5-difluorophenyl)-N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine
CID 138053107
3-(3-methylphenyl)-5-[(3R,4R)-3-methylsulfonyl-4-(trifluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 166432814
5-(4-Ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole
CID 2809275
5-(4-Methylpiperidin-1-yl)-3-phenyl-1,2,4-thiadiazole
CID 2810768

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide (CID 86793201) is 2-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide is CC1CN(c2nc(-c3ccccc3)ns2)CCS1(=O)=O.
What is the InChIKey of 2-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is WGVQWDKZKVEUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-10-9-16(7-8-20(10,17)18)13-14-12(15-19-13)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3.
What are the key properties of 2-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
2-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 309.42 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 86793201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).