2-[[(2-ethylphenyl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid

C14H16N2O4S2 — CID 146140907

IUPAC2-[[(2-ethylphenyl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1ccccc1S(=O)(=O)NCc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C14H16N2O4S2/c1-3-10-6-4-5-7-11(10)22(19,20)15-8-12-16-13(14(17)18)9(2)21-12/h4-7,15H,3,8H2,1-2H3,(H,17,18)
InChIKeyOQRLFQQWABWCPO-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.19
Rot. Bonds6

About 2-[[(2-ethylphenyl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid

2-[[(2-ethylphenyl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 146140907) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[[(2-ethylphenyl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-ethylphenyl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID146140907
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name2-[[(2-ethylphenyl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1ccccc1S(=O)(=O)NCc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C14H16N2O4S2/c1-3-10-6-4-5-7-11(10)22(19,20)15-8-12-16-13(14(17)18)9(2)21-12/h4-7,15H,3,8H2,1-2H3,(H,17,18)
InChIKeyOQRLFQQWABWCPO-UHFFFAOYSA-N
XLogP2.19
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(1,5-dimethylpyrazol-4-yl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 154771725
5-methyl-2-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 136572278
2-[[(2-fluorophenyl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628148
2-[(2-bromophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422776
5-methyl-2-(propylaminomethyl)-1,3-thiazole-4-carboxylic acid
CID 115422064
2-(acetamidomethyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 110477259
4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114331362
2-[(2-chlorophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306604
2-ethyl-N-(4-hydroxybut-2-ynyl)benzenesulfonamide
CID 127266845
N-(2-amino-2-methylpropyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711490
5-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-thiazole-4-carboxylic acid
CID 115424282
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 154742165

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethylphenyl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(2-ethylphenyl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid (CID 146140907) is 2-[[(2-ethylphenyl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(2-ethylphenyl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(2-ethylphenyl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid is CCc1ccccc1S(=O)(=O)NCc1nc(C(=O)O)c(C)s1.
What is the InChIKey of 2-[[(2-ethylphenyl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is OQRLFQQWABWCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-3-10-6-4-5-7-11(10)22(19,20)15-8-12-16-13(14(17)18)9(2)21-12/h4-7,15H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[[(2-ethylphenyl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid?
2-[[(2-ethylphenyl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 340.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethylphenyl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 146140907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).