N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide

C19H20N2O3S2 — CID 110393720

IUPACN-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCc2nc(-c3ccc(O)cc3)cs2)cc1
InChIInChI=1S/C19H20N2O3S2/c1-13(2)14-5-9-17(10-6-14)26(23,24)20-11-19-21-18(12-25-19)15-3-7-16(22)8-4-15/h3-10,12-13,20,22H,11H2,1-2H3
InChIKeyRZEJAYVEEHJONW-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.12
Rot. Bonds6

About N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide

N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 110393720) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID110393720
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC NameN-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCc2nc(-c3ccc(O)cc3)cs2)cc1
InChIInChI=1S/C19H20N2O3S2/c1-13(2)14-5-9-17(10-6-14)26(23,24)20-11-19-21-18(12-25-19)15-3-7-16(22)8-4-15/h3-10,12-13,20,22H,11H2,1-2H3
InChIKeyRZEJAYVEEHJONW-UHFFFAOYSA-N
XLogP4.12
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzenesulfonamide
CID 110393835
N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544495
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110393734
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide
CID 110393596
[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid
CID 146469372
3-chloro-N-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110393855
3-chloro-4-methoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110318264
2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]sulfonyl]acetic acid
CID 141124885
1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea
CID 71691474
N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110318257
1-iodoethyl 2-[4-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetate
CID 144595482
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 62652676

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide (CID 110393720) is N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCc2nc(-c3ccc(O)cc3)cs2)cc1.
What is the InChIKey of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is RZEJAYVEEHJONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-13(2)14-5-9-17(10-6-14)26(23,24)20-11-19-21-18(12-25-19)15-3-7-16(22)8-4-15/h3-10,12-13,20,22H,11H2,1-2H3.
What are the key properties of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide?
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 388.51 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 110393720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).