4-(2-amino-1,3-thiazol-5-yl)-N-pyrimidin-2-ylbenzenesulfonamide

C13H11N5O2S2 — CID 132521229

IUPAC4-(2-amino-1,3-thiazol-5-yl)-N-pyrimidin-2-ylbenzenesulfonamide
SMILESNc1ncc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)s1
InChIInChI=1S/C13H11N5O2S2/c14-12-17-8-11(21-12)9-2-4-10(5-3-9)22(19,20)18-13-15-6-1-7-16-13/h1-8H,(H2,14,17)(H,15,16,18)
InChIKeyXOFMLPJVJBZSSC-UHFFFAOYSA-N
MW333.40 g/mol
LogP1.98
Rot. Bonds4

About 4-(2-amino-1,3-thiazol-5-yl)-N-pyrimidin-2-ylbenzenesulfonamide

4-(2-amino-1,3-thiazol-5-yl)-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 132521229) has the molecular formula C13H11N5O2S2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-(2-amino-1,3-thiazol-5-yl)-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-amino-1,3-thiazol-5-yl)-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID132521229
Molecular FormulaC13H11N5O2S2
Molecular Weight333.40 g/mol
Exact Mass333.04
IUPAC Name4-(2-amino-1,3-thiazol-5-yl)-N-pyrimidin-2-ylbenzenesulfonamide
SMILESNc1ncc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)s1
InChIInChI=1S/C13H11N5O2S2/c14-12-17-8-11(21-12)9-2-4-10(5-3-9)22(19,20)18-13-15-6-1-7-16-13/h1-8H,(H2,14,17)(H,15,16,18)
InChIKeyXOFMLPJVJBZSSC-UHFFFAOYSA-N
XLogP1.98
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(2-amino-1,3-thiazol-5-yl)-N-pyrimidin-2-ylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 43111211
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 168579634
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
zinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide)
CID 10010263
4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide
CID 66656852
4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 1164234
4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium
CID 175029093
4-(3-aminoprop-1-ynyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 60844825

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,3-thiazol-5-yl)-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-(2-amino-1,3-thiazol-5-yl)-N-pyrimidin-2-ylbenzenesulfonamide (CID 132521229) is 4-(2-amino-1,3-thiazol-5-yl)-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-amino-1,3-thiazol-5-yl)-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-amino-1,3-thiazol-5-yl)-N-pyrimidin-2-ylbenzenesulfonamide is Nc1ncc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)s1.
What is the InChIKey of 4-(2-amino-1,3-thiazol-5-yl)-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is XOFMLPJVJBZSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S2/c14-12-17-8-11(21-12)9-2-4-10(5-3-9)22(19,20)18-13-15-6-1-7-16-13/h1-8H,(H2,14,17)(H,15,16,18).
What are the key properties of 4-(2-amino-1,3-thiazol-5-yl)-N-pyrimidin-2-ylbenzenesulfonamide?
4-(2-amino-1,3-thiazol-5-yl)-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 333.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,3-thiazol-5-yl)-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 132521229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).