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

C12H11FN2O4S2 — CID 63628148

IUPAC2-[[(2-fluorophenyl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNS(=O)(=O)c2ccccc2F)sc1C(=O)O
InChIInChI=1S/C12H11FN2O4S2/c1-7-11(12(16)17)20-10(15-7)6-14-21(18,19)9-5-3-2-4-8(9)13/h2-5,14H,6H2,1H3,(H,16,17)
InChIKeyHBNKHLLIEKCZPO-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.77
Rot. Bonds5

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

2-[[(2-fluorophenyl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 63628148) has the molecular formula C12H11FN2O4S2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[[(2-fluorophenyl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-fluorophenyl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID63628148
Molecular FormulaC12H11FN2O4S2
Molecular Weight330.36 g/mol
Exact Mass330.01
IUPAC Name2-[[(2-fluorophenyl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNS(=O)(=O)c2ccccc2F)sc1C(=O)O
InChIInChI=1S/C12H11FN2O4S2/c1-7-11(12(16)17)20-10(15-7)6-14-21(18,19)9-5-3-2-4-8(9)13/h2-5,14H,6H2,1H3,(H,16,17)
InChIKeyHBNKHLLIEKCZPO-UHFFFAOYSA-N
XLogP1.77
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-fluorophenyl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[[(2-fluorophenyl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 63628148) is 2-[[(2-fluorophenyl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[[(2-fluorophenyl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[[(2-fluorophenyl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(CNS(=O)(=O)c2ccccc2F)sc1C(=O)O.
What is the InChIKey of 2-[[(2-fluorophenyl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is HBNKHLLIEKCZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4S2/c1-7-11(12(16)17)20-10(15-7)6-14-21(18,19)9-5-3-2-4-8(9)13/h2-5,14H,6H2,1H3,(H,16,17).
What are the key properties of 2-[[(2-fluorophenyl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[[(2-fluorophenyl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 330.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-fluorophenyl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63628148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).