5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid

C9H7N3O4S2 — CID 86566878

IUPAC5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C9H7N3O4S2/c13-9(14)7-8(17-5-11-7)12-18(15,16)6-2-1-3-10-4-6/h1-5,12H,(H,13,14)
InChIKeyOLGRJQGVXXCIMN-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.04
Rot. Bonds4

About 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid

5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 86566878) has the molecular formula C9H7N3O4S2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID86566878
Molecular FormulaC9H7N3O4S2
Molecular Weight285.31 g/mol
Exact Mass284.99
IUPAC Name5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C9H7N3O4S2/c13-9(14)7-8(17-5-11-7)12-18(15,16)6-2-1-3-10-4-6/h1-5,12H,(H,13,14)
InChIKeyOLGRJQGVXXCIMN-UHFFFAOYSA-N
XLogP1.04
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Pyridin-2-yl)-1,3-thiazole-4-carboxylic acid
CID 15623090
5-(Pyridin-3-ylamino)-thiazole-4-carboxylic acid
CID 64631898
2-(3-Fluoropyridin-2-yl)-1,3-thiazole-4-carboxylic acid
CID 71695287
5-[[5-(Difluoromethyl)pyridin-3-yl]amino]-2-methyl-1,3-thiazole-4-carboxylic acid
CID 68405751
2-Methyl-5-[[6-(trifluoromethyl)pyridin-3-yl]amino]-1,3-thiazole-4-carboxylic acid
CID 68406024
5-[(5-Fluoro-3-pyridinyl)amino]-2-methyl-1,3-thiazole-4-carboxylic acid
CID 68407055
2-Methyl-5-[[5-(trifluoromethyl)pyridin-3-yl]amino]-1,3-thiazole-4-carboxylic acid
CID 68407326
5-(Tert-butoxycarbonylamino)-2-(3-fluoropyridin-2-yl)thiazole-4-carboxylic acid
CID 69811353
5-[[6-(Trifluoromethyl)pyridin-3-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567822
5-Amino-2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 89457099
5-[[1-[6-(Trifluoromethyl)pyridin-3-yl]pyrazol-4-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 117740867
5-[[6-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pyridin-3-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 117741223

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid (CID 86566878) is 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NS(=O)(=O)c1cccnc1.
What is the InChIKey of 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is OLGRJQGVXXCIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4S2/c13-9(14)7-8(17-5-11-7)12-18(15,16)6-2-1-3-10-4-6/h1-5,12H,(H,13,14).
What are the key properties of 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid?
5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 285.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 86566878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).