3-[4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-yl]thiolane 1,1-dioxide

C14H14BrNO2S2 — CID 115338666

IUPAC3-[4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-yl]thiolane 1,1-dioxide
SMILESCc1sc(C2CCS(=O)(=O)C2)nc1-c1ccccc1Br
InChIInChI=1S/C14H14BrNO2S2/c1-9-13(11-4-2-3-5-12(11)15)16-14(19-9)10-6-7-20(17,18)8-10/h2-5,10H,6-8H2,1H3
InChIKeyPMSIKISLFVEVAG-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.78
Rot. Bonds2

About 3-[4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-yl]thiolane 1,1-dioxide

3-[4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-yl]thiolane 1,1-dioxide (PubChem CID 115338666) has the molecular formula C14H14BrNO2S2 and a molecular weight of 372.31 g/mol. Its IUPAC name is 3-[4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-yl]thiolane 1,1-dioxide
PubChem CID115338666
Molecular FormulaC14H14BrNO2S2
Molecular Weight372.31 g/mol
Exact Mass370.96
IUPAC Name3-[4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-yl]thiolane 1,1-dioxide
SMILESCc1sc(C2CCS(=O)(=O)C2)nc1-c1ccccc1Br
InChIInChI=1S/C14H14BrNO2S2/c1-9-13(11-4-2-3-5-12(11)15)16-14(19-9)10-6-7-20(17,18)8-10/h2-5,10H,6-8H2,1H3
InChIKeyPMSIKISLFVEVAG-UHFFFAOYSA-N
XLogP3.78
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-yl]thiolane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-yl]thiolane 1,1-dioxide (CID 115338666) is 3-[4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-yl]thiolane 1,1-dioxide is Cc1sc(C2CCS(=O)(=O)C2)nc1-c1ccccc1Br.
What is the InChIKey of 3-[4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-yl]thiolane 1,1-dioxide?
The InChIKey is PMSIKISLFVEVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S2/c1-9-13(11-4-2-3-5-12(11)15)16-14(19-9)10-6-7-20(17,18)8-10/h2-5,10H,6-8H2,1H3.
What are the key properties of 3-[4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-yl]thiolane 1,1-dioxide?
3-[4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-yl]thiolane 1,1-dioxide has a molecular weight of 372.31 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 115338666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).