2-methyl-4-[2-(5-methylthiophen-2-yl)sulfonylethylsulfonylmethyl]-1,3-thiazole

C12H15NO4S4 — CID 22054010

IUPAC2-methyl-4-[2-(5-methylthiophen-2-yl)sulfonylethylsulfonylmethyl]-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)CCS(=O)(=O)Cc2csc(C)n2)s1
InChIInChI=1S/C12H15NO4S4/c1-9-3-4-12(19-9)21(16,17)6-5-20(14,15)8-11-7-18-10(2)13-11/h3-4,7H,5-6,8H2,1-2H3
InChIKeyYKEBUCRDGURRRE-UHFFFAOYSA-N
MW365.52 g/mol
LogP2.21
Rot. Bonds6

About 2-methyl-4-[2-(5-methylthiophen-2-yl)sulfonylethylsulfonylmethyl]-1,3-thiazole

2-methyl-4-[2-(5-methylthiophen-2-yl)sulfonylethylsulfonylmethyl]-1,3-thiazole (PubChem CID 22054010) has the molecular formula C12H15NO4S4 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-methyl-4-[2-(5-methylthiophen-2-yl)sulfonylethylsulfonylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[2-(5-methylthiophen-2-yl)sulfonylethylsulfonylmethyl]-1,3-thiazole
PubChem CID22054010
Molecular FormulaC12H15NO4S4
Molecular Weight365.52 g/mol
Exact Mass364.99
IUPAC Name2-methyl-4-[2-(5-methylthiophen-2-yl)sulfonylethylsulfonylmethyl]-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)CCS(=O)(=O)Cc2csc(C)n2)s1
InChIInChI=1S/C12H15NO4S4/c1-9-3-4-12(19-9)21(16,17)6-5-20(14,15)8-11-7-18-10(2)13-11/h3-4,7H,5-6,8H2,1-2H3
InChIKeyYKEBUCRDGURRRE-UHFFFAOYSA-N
XLogP2.21
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(5-methylthiophen-2-yl)sulfonylethylsulfonylmethyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[2-(5-methylthiophen-2-yl)sulfonylethylsulfonylmethyl]-1,3-thiazole (CID 22054010) is 2-methyl-4-[2-(5-methylthiophen-2-yl)sulfonylethylsulfonylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[2-(5-methylthiophen-2-yl)sulfonylethylsulfonylmethyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[2-(5-methylthiophen-2-yl)sulfonylethylsulfonylmethyl]-1,3-thiazole is Cc1ccc(S(=O)(=O)CCS(=O)(=O)Cc2csc(C)n2)s1.
What is the InChIKey of 2-methyl-4-[2-(5-methylthiophen-2-yl)sulfonylethylsulfonylmethyl]-1,3-thiazole?
The InChIKey is YKEBUCRDGURRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S4/c1-9-3-4-12(19-9)21(16,17)6-5-20(14,15)8-11-7-18-10(2)13-11/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 2-methyl-4-[2-(5-methylthiophen-2-yl)sulfonylethylsulfonylmethyl]-1,3-thiazole?
2-methyl-4-[2-(5-methylthiophen-2-yl)sulfonylethylsulfonylmethyl]-1,3-thiazole has a molecular weight of 365.52 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(5-methylthiophen-2-yl)sulfonylethylsulfonylmethyl]-1,3-thiazole is sourced from PubChem (CID 22054010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).