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

C10H12N4O4S2 — CID 136572278

IUPAC5-methyl-2-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(CNS(=O)(=O)c2cnn(C)c2)nc1C(=O)O
InChIInChI=1S/C10H12N4O4S2/c1-6-9(10(15)16)13-8(19-6)4-12-20(17,18)7-3-11-14(2)5-7/h3,5,12H,4H2,1-2H3,(H,15,16)
InChIKeyZMBDQTFWDMJRPU-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.36
Rot. Bonds5

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

5-methyl-2-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 136572278) has the molecular formula C10H12N4O4S2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-methyl-2-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID136572278
Molecular FormulaC10H12N4O4S2
Molecular Weight316.36 g/mol
Exact Mass316.03
IUPAC Name5-methyl-2-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(CNS(=O)(=O)c2cnn(C)c2)nc1C(=O)O
InChIInChI=1S/C10H12N4O4S2/c1-6-9(10(15)16)13-8(19-6)4-12-20(17,18)7-3-11-14(2)5-7/h3,5,12H,4H2,1-2H3,(H,15,16)
InChIKeyZMBDQTFWDMJRPU-UHFFFAOYSA-N
XLogP0.36
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(1,5-dimethylpyrazol-4-yl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 154771725
4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]benzoic acid
CID 43361422
2-[[(2-ethylphenyl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 146140907
4-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361171
5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 62033979
2-(acetamidomethyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 110477259
1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114616511
2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid
CID 119348503
3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443076
1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311056
3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid
CID 61349658
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid (CID 136572278) is 5-methyl-2-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid is Cc1sc(CNS(=O)(=O)c2cnn(C)c2)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZMBDQTFWDMJRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4S2/c1-6-9(10(15)16)13-8(19-6)4-12-20(17,18)7-3-11-14(2)5-7/h3,5,12H,4H2,1-2H3,(H,15,16).
What are the key properties of 5-methyl-2-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
5-methyl-2-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 136572278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).