5-[(6-cyclohexyl-3-pyridinyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid

C15H17N3O4S2 — CID 158942457

IUPAC5-[(6-cyclohexyl-3-pyridinyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)c1ccc(C2CCCCC2)nc1
InChIInChI=1S/C15H17N3O4S2/c19-15(20)13-14(23-9-17-13)18-24(21,22)11-6-7-12(16-8-11)10-4-2-1-3-5-10/h6-10,18H,1-5H2,(H,19,20)
InChIKeyJKKOSDIPXXNRGL-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.08
Rot. Bonds5

About 5-[(6-cyclohexyl-3-pyridinyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid

5-[(6-cyclohexyl-3-pyridinyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 158942457) has the molecular formula C15H17N3O4S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-[(6-cyclohexyl-3-pyridinyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(6-cyclohexyl-3-pyridinyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID158942457
Molecular FormulaC15H17N3O4S2
Molecular Weight367.45 g/mol
Exact Mass367.07
IUPAC Name5-[(6-cyclohexyl-3-pyridinyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)c1ccc(C2CCCCC2)nc1
InChIInChI=1S/C15H17N3O4S2/c19-15(20)13-14(23-9-17-13)18-24(21,22)11-6-7-12(16-8-11)10-4-2-1-3-5-10/h6-10,18H,1-5H2,(H,19,20)
InChIKeyJKKOSDIPXXNRGL-UHFFFAOYSA-N
XLogP3.08
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(6-cyclohexyl-3-pyridinyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(6-cyclohexyl-3-pyridinyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(6-cyclohexyl-3-pyridinyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid (CID 158942457) is 5-[(6-cyclohexyl-3-pyridinyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(6-cyclohexyl-3-pyridinyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(6-cyclohexyl-3-pyridinyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NS(=O)(=O)c1ccc(C2CCCCC2)nc1.
What is the InChIKey of 5-[(6-cyclohexyl-3-pyridinyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is JKKOSDIPXXNRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S2/c19-15(20)13-14(23-9-17-13)18-24(21,22)11-6-7-12(16-8-11)10-4-2-1-3-5-10/h6-10,18H,1-5H2,(H,19,20).
What are the key properties of 5-[(6-cyclohexyl-3-pyridinyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid?
5-[(6-cyclohexyl-3-pyridinyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 367.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-cyclohexyl-3-pyridinyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 158942457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).