2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide

C8H11N5O4S3 — CID 103415785

IUPAC2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2nn(C)cc2S(N)(=O)=O)s1
InChIInChI=1S/C8H11N5O4S3/c1-5-10-3-7(18-5)20(16,17)12-8-6(19(9,14)15)4-13(2)11-8/h3-4H,1-2H3,(H,11,12)(H2,9,14,15)
InChIKeyLYLHIDMRFAFVHU-UHFFFAOYSA-N
MW337.41 g/mol
LogP-0.37
Rot. Bonds4

About 2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide

2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 103415785) has the molecular formula C8H11N5O4S3 and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide
PubChem CID103415785
Molecular FormulaC8H11N5O4S3
Molecular Weight337.41 g/mol
Exact Mass337.00
IUPAC Name2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2nn(C)cc2S(N)(=O)=O)s1
InChIInChI=1S/C8H11N5O4S3/c1-5-10-3-7(18-5)20(16,17)12-8-6(19(9,14)15)4-13(2)11-8/h3-4H,1-2H3,(H,11,12)(H2,9,14,15)
InChIKeyLYLHIDMRFAFVHU-UHFFFAOYSA-N
XLogP-0.37
TPSA137.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-1-methylpyrazole-4-sulfonamide
CID 61131337
1-methyl-3-(propan-2-ylsulfonylamino)pyrazole-4-sulfonamide
CID 61132283
1-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-sulfonamide
CID 61131751
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)propanamide
CID 61131141
N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413875
N-(1-methyl-4-sulfamoylpyrazol-3-yl)morpholine-4-sulfonamide
CID 61131439
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyridine-4-carboxamide
CID 106753989
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413868
N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413785
2-methyl-N-(1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide
CID 103866466
1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-4-carboxamide
CID 61132038
N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413759

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide (CID 103415785) is 2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2nn(C)cc2S(N)(=O)=O)s1.
What is the InChIKey of 2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is LYLHIDMRFAFVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O4S3/c1-5-10-3-7(18-5)20(16,17)12-8-6(19(9,14)15)4-13(2)11-8/h3-4H,1-2H3,(H,11,12)(H2,9,14,15).
What are the key properties of 2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide?
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 337.41 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103415785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).