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

C11H14N4O4S2 — CID 154771725

IUPAC2-[[(1,5-dimethylpyrazol-4-yl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(CNS(=O)(=O)c2cnn(C)c2C)nc1C(=O)O
InChIInChI=1S/C11H14N4O4S2/c1-6-8(4-12-15(6)3)21(18,19)13-5-9-14-10(11(16)17)7(2)20-9/h4,13H,5H2,1-3H3,(H,16,17)
InChIKeyHDARMMKQIIZGQM-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.67
Rot. Bonds5

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

2-[[(1,5-dimethylpyrazol-4-yl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 154771725) has the molecular formula C11H14N4O4S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[[(1,5-dimethylpyrazol-4-yl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(1,5-dimethylpyrazol-4-yl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID154771725
Molecular FormulaC11H14N4O4S2
Molecular Weight330.39 g/mol
Exact Mass330.05
IUPAC Name2-[[(1,5-dimethylpyrazol-4-yl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(CNS(=O)(=O)c2cnn(C)c2C)nc1C(=O)O
InChIInChI=1S/C11H14N4O4S2/c1-6-8(4-12-15(6)3)21(18,19)13-5-9-14-10(11(16)17)7(2)20-9/h4,13H,5H2,1-3H3,(H,16,17)
InChIKeyHDARMMKQIIZGQM-UHFFFAOYSA-N
XLogP0.67
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1,5-dimethylpyrazol-4-yl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(1,5-dimethylpyrazol-4-yl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid (CID 154771725) is 2-[[(1,5-dimethylpyrazol-4-yl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(1,5-dimethylpyrazol-4-yl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(1,5-dimethylpyrazol-4-yl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid is Cc1sc(CNS(=O)(=O)c2cnn(C)c2C)nc1C(=O)O.
What is the InChIKey of 2-[[(1,5-dimethylpyrazol-4-yl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is HDARMMKQIIZGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S2/c1-6-8(4-12-15(6)3)21(18,19)13-5-9-14-10(11(16)17)7(2)20-9/h4,13H,5H2,1-3H3,(H,16,17).
What are the key properties of 2-[[(1,5-dimethylpyrazol-4-yl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid?
2-[[(1,5-dimethylpyrazol-4-yl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 330.39 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1,5-dimethylpyrazol-4-yl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 154771725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).