3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid

C11H11N5O5S2 — CID 23312626

IUPAC3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccsc2C(=O)O)n1
InChIInChI=1S/C11H11N5O5S2/c1-5-12-6(2)14-10(13-5)15-11(19)16-23(20,21)7-3-4-22-8(7)9(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)
InChIKeyFAIABPAUQWZAQM-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.76
Rot. Bonds4

About 3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid

3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 23312626) has the molecular formula C11H11N5O5S2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID23312626
Molecular FormulaC11H11N5O5S2
Molecular Weight357.37 g/mol
Exact Mass357.02
IUPAC Name3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccsc2C(=O)O)n1
InChIInChI=1S/C11H11N5O5S2/c1-5-12-6(2)14-10(13-5)15-11(19)16-23(20,21)7-3-4-22-8(7)9(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)
InChIKeyFAIABPAUQWZAQM-UHFFFAOYSA-N
XLogP0.76
TPSA151.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid with MolForge

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Related Compounds

sodium;hydride;3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid;methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-3H-thiophene-2-carboxylate
CID 173211427
methyl 2-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-3-carboxylate
CID 13390206
3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid
CID 83004979
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61167041
(2S)-2-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxypropanoic acid;3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid
CID 70137971
3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235697
3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid
CID 82720672
1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(1,3-oxazol-2-yl)phenyl]sulfonylurea
CID 13390072
1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-(8-nitronaphthalen-1-yl)sulfonylurea
CID 13103094
3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61059093
3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 79042040

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid (CID 23312626) is 3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid is Cc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccsc2C(=O)O)n1.
What is the InChIKey of 3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is FAIABPAUQWZAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O5S2/c1-5-12-6(2)14-10(13-5)15-11(19)16-23(20,21)7-3-4-22-8(7)9(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19).
What are the key properties of 3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid?
3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 357.37 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 23312626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).