2-(4-methylphenyl)sulfonyl-1,3-thiazole

C10H9NO2S2 — CID 70502627

IUPAC2-(4-methylphenyl)sulfonyl-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)c2nccs2)cc1
InChIInChI=1S/C10H9NO2S2/c1-8-2-4-9(5-3-8)15(12,13)10-11-6-7-14-10/h2-7H,1H3
InChIKeyCCPQFKPTRCBKSP-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.28
Rot. Bonds2

About 2-(4-methylphenyl)sulfonyl-1,3-thiazole

2-(4-methylphenyl)sulfonyl-1,3-thiazole (PubChem CID 70502627) has the molecular formula C10H9NO2S2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-1,3-thiazole
PubChem CID70502627
Molecular FormulaC10H9NO2S2
Molecular Weight239.32 g/mol
Exact Mass239.01
IUPAC Name2-(4-methylphenyl)sulfonyl-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)c2nccs2)cc1
InChIInChI=1S/C10H9NO2S2/c1-8-2-4-9(5-3-8)15(12,13)10-11-6-7-14-10/h2-7H,1H3
InChIKeyCCPQFKPTRCBKSP-UHFFFAOYSA-N
XLogP2.28
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-1,3-thiazole?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-1,3-thiazole (CID 70502627) is 2-(4-methylphenyl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-1,3-thiazole?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-1,3-thiazole is Cc1ccc(S(=O)(=O)c2nccs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-1,3-thiazole?
The InChIKey is CCPQFKPTRCBKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S2/c1-8-2-4-9(5-3-8)15(12,13)10-11-6-7-14-10/h2-7H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-1,3-thiazole?
2-(4-methylphenyl)sulfonyl-1,3-thiazole has a molecular weight of 239.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 70502627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).