5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid

C12H13N3O4S2 — CID 146092792

IUPAC5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid
SMILESCCc1cnc(CNS(=O)(=O)c2ccc(C(=O)O)nc2)s1
InChIInChI=1S/C12H13N3O4S2/c1-2-8-5-14-11(20-8)7-15-21(18,19)9-3-4-10(12(16)17)13-6-9/h3-6,15H,2,7H2,1H3,(H,16,17)
InChIKeyLAOZXYSKJKWMKT-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.28
Rot. Bonds6

About 5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid

5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid (PubChem CID 146092792) has the molecular formula C12H13N3O4S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid
PubChem CID146092792
Molecular FormulaC12H13N3O4S2
Molecular Weight327.39 g/mol
Exact Mass327.03
IUPAC Name5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid
SMILESCCc1cnc(CNS(=O)(=O)c2ccc(C(=O)O)nc2)s1
InChIInChI=1S/C12H13N3O4S2/c1-2-8-5-14-11(20-8)7-15-21(18,19)9-3-4-10(12(16)17)13-6-9/h3-6,15H,2,7H2,1H3,(H,16,17)
InChIKeyLAOZXYSKJKWMKT-UHFFFAOYSA-N
XLogP1.28
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 104868462
5-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfamoyl]pyridine-2-carboxylic acid
CID 154740829
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 113252435
5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685818
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 113245137
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 103698184
5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685817
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111534012
N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 110645151
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 71997185
2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 114129166
4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739007

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid (CID 146092792) is 5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid is CCc1cnc(CNS(=O)(=O)c2ccc(C(=O)O)nc2)s1.
What is the InChIKey of 5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid?
The InChIKey is LAOZXYSKJKWMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S2/c1-2-8-5-14-11(20-8)7-15-21(18,19)9-3-4-10(12(16)17)13-6-9/h3-6,15H,2,7H2,1H3,(H,16,17).
What are the key properties of 5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid?
5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid has a molecular weight of 327.39 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 146092792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).