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

C17H18N4O5S2 — CID 164587760

IUPAC4-[[4-(2,6-dimethoxy-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCOc1cc(-c2nc(Nc3ccc(S(N)(=O)=O)cc3)sc2CO)cc(OC)n1
InChIInChI=1S/C17H18N4O5S2/c1-25-14-7-10(8-15(20-14)26-2)16-13(9-22)27-17(21-16)19-11-3-5-12(6-4-11)28(18,23)24/h3-8,22H,9H2,1-2H3,(H,19,21)(H2,18,23,24)
InChIKeyJGRLGSPXACSBKK-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.11
Rot. Bonds7

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

4-[[4-(2,6-dimethoxy-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 164587760) has the molecular formula C17H18N4O5S2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-[[4-(2,6-dimethoxy-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(2,6-dimethoxy-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID164587760
Molecular FormulaC17H18N4O5S2
Molecular Weight422.49 g/mol
Exact Mass422.07
IUPAC Name4-[[4-(2,6-dimethoxy-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCOc1cc(-c2nc(Nc3ccc(S(N)(=O)=O)cc3)sc2CO)cc(OC)n1
InChIInChI=1S/C17H18N4O5S2/c1-25-14-7-10(8-15(20-14)26-2)16-13(9-22)27-17(21-16)19-11-3-5-12(6-4-11)28(18,23)24/h3-8,22H,9H2,1-2H3,(H,19,21)(H2,18,23,24)
InChIKeyJGRLGSPXACSBKK-UHFFFAOYSA-N
XLogP2.11
TPSA136.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[[4-(2,6-dimethoxy-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

4-[[4-(2,6-dimethoxy-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfinamide
CID 164587611
4-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonic acid
CID 164587766
2-[5-(hydroxymethyl)-2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]-N-propan-2-ylbenzenesulfonamide
CID 175979030
2-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 175979037
[2-[4-methylsulfonyl-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol
CID 164587647
2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid
CID 3145343
4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 141008632
4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide
CID 14700316
4-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide
CID 79126584
4-[[4-amino-5-[4-(6-methoxy-2-phenylquinolin-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 21357905
5-ethyl-4-(2-methyl-4-pyridinyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 175544579
2-[2-(4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 956764

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,6-dimethoxy-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(2,6-dimethoxy-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 164587760) is 4-[[4-(2,6-dimethoxy-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(2,6-dimethoxy-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(2,6-dimethoxy-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is COc1cc(-c2nc(Nc3ccc(S(N)(=O)=O)cc3)sc2CO)cc(OC)n1.
What is the InChIKey of 4-[[4-(2,6-dimethoxy-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is JGRLGSPXACSBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5S2/c1-25-14-7-10(8-15(20-14)26-2)16-13(9-22)27-17(21-16)19-11-3-5-12(6-4-11)28(18,23)24/h3-8,22H,9H2,1-2H3,(H,19,21)(H2,18,23,24).
What are the key properties of 4-[[4-(2,6-dimethoxy-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-(2,6-dimethoxy-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 422.49 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,6-dimethoxy-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 164587760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).