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

C11H14N4O4S2 — CID 66380496

IUPAC2-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1nc(C(=O)O)cs1
InChIInChI=1S/C11H14N4O4S2/c1-6-10(7(2)15(3)14-6)21(18,19)12-4-9-13-8(5-20-9)11(16)17/h5,12H,4H2,1-3H3,(H,16,17)
InChIKeyQPFINZIHDBHBKH-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.67
Rot. Bonds5

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

2-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66380496) has the molecular formula C11H14N4O4S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66380496
Molecular FormulaC11H14N4O4S2
Molecular Weight330.39 g/mol
Exact Mass330.05
IUPAC Name2-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1nc(C(=O)O)cs1
InChIInChI=1S/C11H14N4O4S2/c1-6-10(7(2)15(3)14-6)21(18,19)12-4-9-13-8(5-20-9)11(16)17/h5,12H,4H2,1-3H3,(H,16,17)
InChIKeyQPFINZIHDBHBKH-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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Related Compounds

2-[[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 136533100
2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379320
2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 146128106
2-[[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245066
N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 154837399
2-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetyl]amino]acetic acid
CID 43387800
7-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]heptanoic acid
CID 43241419
4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 102748450
2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 81264880
2-[[(3-ethoxy-3-oxopropyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380108
2-[[(2-cyanophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379328
2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245279

Frequently Asked Questions

What is the IUPAC name of 2-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid (CID 66380496) is 2-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid is Cc1nn(C)c(C)c1S(=O)(=O)NCc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is QPFINZIHDBHBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S2/c1-6-10(7(2)15(3)14-6)21(18,19)12-4-9-13-8(5-20-9)11(16)17/h5,12H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]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-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66380496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).