4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C19H16N4O4S2 — CID 2214183

IUPAC4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(O)cc4)cs3)cc2)no1
InChIInChI=1S/C19H16N4O4S2/c1-12-10-18(22-27-12)23-29(25,26)16-8-4-14(5-9-16)20-19-21-17(11-28-19)13-2-6-15(24)7-3-13/h2-11,24H,1H3,(H,20,21)(H,22,23)
InChIKeyNCNXQGSUYOJLTO-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.36
Rot. Bonds6

About 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 2214183) has the molecular formula C19H16N4O4S2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID2214183
Molecular FormulaC19H16N4O4S2
Molecular Weight428.50 g/mol
Exact Mass428.06
IUPAC Name4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(O)cc4)cs3)cc2)no1
InChIInChI=1S/C19H16N4O4S2/c1-12-10-18(22-27-12)23-29(25,26)16-8-4-14(5-9-16)20-19-21-17(11-28-19)13-2-6-15(24)7-3-13/h2-11,24H,1H3,(H,20,21)(H,22,23)
InChIKeyNCNXQGSUYOJLTO-UHFFFAOYSA-N
XLogP4.36
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide
CID 110504080
N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide bromide
CID 53347266
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459
4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 118708820
N-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 155312775
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706
N-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17398323
N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 3939930
4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;hydrobromide
CID 171669300

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 2214183) is 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(O)cc4)cs3)cc2)no1.
What is the InChIKey of 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is NCNXQGSUYOJLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S2/c1-12-10-18(22-27-12)23-29(25,26)16-8-4-14(5-9-16)20-19-21-17(11-28-19)13-2-6-15(24)7-3-13/h2-11,24H,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 428.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 2214183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).