5-(benzenesulfonylmethyl)-2-methyl-1,3-thiazole

C11H11NO2S2 — CID 134908094

IUPAC5-(benzenesulfonylmethyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(CS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C11H11NO2S2/c1-9-12-7-10(15-9)8-16(13,14)11-5-3-2-4-6-11/h2-7H,8H2,1H3
InChIKeyZLIUBJHRCKDNKQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.43
Rot. Bonds3

About 5-(benzenesulfonylmethyl)-2-methyl-1,3-thiazole

5-(benzenesulfonylmethyl)-2-methyl-1,3-thiazole (PubChem CID 134908094) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-2-methyl-1,3-thiazole
PubChem CID134908094
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name5-(benzenesulfonylmethyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(CS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C11H11NO2S2/c1-9-12-7-10(15-9)8-16(13,14)11-5-3-2-4-6-11/h2-7H,8H2,1H3
InChIKeyZLIUBJHRCKDNKQ-UHFFFAOYSA-N
XLogP2.43
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(benzenesulfonylmethyl)-2-methyl-1,3-thiazole (CID 134908094) is 5-(benzenesulfonylmethyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(benzenesulfonylmethyl)-2-methyl-1,3-thiazole is Cc1ncc(CS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-2-methyl-1,3-thiazole?
The InChIKey is ZLIUBJHRCKDNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-9-12-7-10(15-9)8-16(13,14)11-5-3-2-4-6-11/h2-7H,8H2,1H3.
What are the key properties of 5-(benzenesulfonylmethyl)-2-methyl-1,3-thiazole?
5-(benzenesulfonylmethyl)-2-methyl-1,3-thiazole has a molecular weight of 253.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 134908094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).