2-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

C17H18N4O3S2 — CID 175979037

IUPAC2-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCc1cc(-c2nc(Nc3ccccc3S(N)(=O)=O)sc2CO)cc(C)n1
InChIInChI=1S/C17H18N4O3S2/c1-10-7-12(8-11(2)19-10)16-14(9-22)25-17(21-16)20-13-5-3-4-6-15(13)26(18,23)24/h3-8,22H,9H2,1-2H3,(H,20,21)(H2,18,23,24)
InChIKeyMNWFLRFTAUWSHD-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.71
Rot. Bonds5

About 2-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

2-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 175979037) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID175979037
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC Name2-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCc1cc(-c2nc(Nc3ccccc3S(N)(=O)=O)sc2CO)cc(C)n1
InChIInChI=1S/C17H18N4O3S2/c1-10-7-12(8-11(2)19-10)16-14(9-22)25-17(21-16)20-13-5-3-4-6-15(13)26(18,23)24/h3-8,22H,9H2,1-2H3,(H,20,21)(H2,18,23,24)
InChIKeyMNWFLRFTAUWSHD-UHFFFAOYSA-N
XLogP2.71
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide 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 2-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 2-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 175979037) is 2-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 2-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 2-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is Cc1cc(-c2nc(Nc3ccccc3S(N)(=O)=O)sc2CO)cc(C)n1.
What is the InChIKey of 2-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is MNWFLRFTAUWSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-10-7-12(8-11(2)19-10)16-14(9-22)25-17(21-16)20-13-5-3-4-6-15(13)26(18,23)24/h3-8,22H,9H2,1-2H3,(H,20,21)(H2,18,23,24).
What are the key properties of 2-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
2-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 390.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 175979037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).