6-(4-methylphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide

C12H12N2O2S2 — CID 2319852

IUPAC6-(4-methylphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide
SMILESCc1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1
InChIInChI=1S/C12H12N2O2S2/c1-9-2-4-10(5-3-9)11-8-17-12-13-18(15,16)7-6-14(11)12/h2-5,8H,6-7H2,1H3
InChIKeyXNTFBMCOAIEATQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.04
Rot. Bonds1

About 6-(4-methylphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide

6-(4-methylphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide (PubChem CID 2319852) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-(4-methylphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide.

Molecular Properties

Compound Name6-(4-methylphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide
PubChem CID2319852
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name6-(4-methylphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide
SMILESCc1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1
InChIInChI=1S/C12H12N2O2S2/c1-9-2-4-10(5-3-9)11-8-17-12-13-18(15,16)7-6-14(11)12/h2-5,8H,6-7H2,1H3
InChIKeyXNTFBMCOAIEATQ-UHFFFAOYSA-N
XLogP2.04
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide?
The IUPAC name of 6-(4-methylphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide (CID 2319852) is 6-(4-methylphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide.
What is the SMILES notation for 6-(4-methylphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide?
The canonical SMILES for 6-(4-methylphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide is Cc1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1.
What is the InChIKey of 6-(4-methylphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide?
The InChIKey is XNTFBMCOAIEATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-9-2-4-10(5-3-9)11-8-17-12-13-18(15,16)7-6-14(11)12/h2-5,8H,6-7H2,1H3.
What are the key properties of 6-(4-methylphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide?
6-(4-methylphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide has a molecular weight of 280.37 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide is sourced from PubChem (CID 2319852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).