2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid

C10H9N3O4S2 — CID 66379320

IUPAC2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNS(=O)(=O)c2cccnc2)n1
InChIInChI=1S/C10H9N3O4S2/c14-10(15)8-6-18-9(13-8)5-12-19(16,17)7-2-1-3-11-4-7/h1-4,6,12H,5H2,(H,14,15)
InChIKeyPGEVLTIHPFFBDA-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.71
Rot. Bonds5

About 2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid

2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66379320) has the molecular formula C10H9N3O4S2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66379320
Molecular FormulaC10H9N3O4S2
Molecular Weight299.33 g/mol
Exact Mass299.00
IUPAC Name2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNS(=O)(=O)c2cccnc2)n1
InChIInChI=1S/C10H9N3O4S2/c14-10(15)8-6-18-9(13-8)5-12-19(16,17)7-2-1-3-11-4-7/h1-4,6,12H,5H2,(H,14,15)
InChIKeyPGEVLTIHPFFBDA-UHFFFAOYSA-N
XLogP0.71
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 81264880
2-[[(3-cyanophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379524
2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374307
2-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381341
2-[[(2-cyanophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379328
2-[(2-pyridin-3-ylethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381322
2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373470
2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 146128106
2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379522
(2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid
CID 104935920
3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid
CID 43443006
2-[[(3-methyl-4-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380116

Frequently Asked Questions

What is the IUPAC name of 2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid (CID 66379320) is 2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CNS(=O)(=O)c2cccnc2)n1.
What is the InChIKey of 2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is PGEVLTIHPFFBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S2/c14-10(15)8-6-18-9(13-8)5-12-19(16,17)7-2-1-3-11-4-7/h1-4,6,12H,5H2,(H,14,15).
What are the key properties of 2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid?
2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66379320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).