N-[4-(3-amino-4-hydroxyphenyl)-1,3-thiazol-2-yl]butane-1-sulfonamide

C13H17N3O3S2 — CID 43603730

IUPACN-[4-(3-amino-4-hydroxyphenyl)-1,3-thiazol-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1nc(-c2ccc(O)c(N)c2)cs1
InChIInChI=1S/C13H17N3O3S2/c1-2-3-6-21(18,19)16-13-15-11(8-20-13)9-4-5-12(17)10(14)7-9/h4-5,7-8,17H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyOTHDPAQOABEUOB-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.64
Rot. Bonds6

About N-[4-(3-amino-4-hydroxyphenyl)-1,3-thiazol-2-yl]butane-1-sulfonamide

N-[4-(3-amino-4-hydroxyphenyl)-1,3-thiazol-2-yl]butane-1-sulfonamide (PubChem CID 43603730) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[4-(3-amino-4-hydroxyphenyl)-1,3-thiazol-2-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-4-hydroxyphenyl)-1,3-thiazol-2-yl]butane-1-sulfonamide
PubChem CID43603730
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC NameN-[4-(3-amino-4-hydroxyphenyl)-1,3-thiazol-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1nc(-c2ccc(O)c(N)c2)cs1
InChIInChI=1S/C13H17N3O3S2/c1-2-3-6-21(18,19)16-13-15-11(8-20-13)9-4-5-12(17)10(14)7-9/h4-5,7-8,17H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyOTHDPAQOABEUOB-UHFFFAOYSA-N
XLogP2.64
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-amino-4-fluorophenyl)-1,3-thiazol-2-yl]propane-1-sulfonamide
CID 43604346
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide
CID 108780480
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide
CID 108784185
4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol
CID 839872
4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine
CID 114804525
4-(2-hydrazinyl-1,3-thiazol-4-yl)-2-methylphenol
CID 7172164
4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 2928782
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 43602534
4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
CID 114810398
4-[2-(2-ethylanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 2177996
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide
CID 108782465
butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
CID 108733444

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-4-hydroxyphenyl)-1,3-thiazol-2-yl]butane-1-sulfonamide?
The IUPAC name of N-[4-(3-amino-4-hydroxyphenyl)-1,3-thiazol-2-yl]butane-1-sulfonamide (CID 43603730) is N-[4-(3-amino-4-hydroxyphenyl)-1,3-thiazol-2-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-(3-amino-4-hydroxyphenyl)-1,3-thiazol-2-yl]butane-1-sulfonamide?
The canonical SMILES for N-[4-(3-amino-4-hydroxyphenyl)-1,3-thiazol-2-yl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1nc(-c2ccc(O)c(N)c2)cs1.
What is the InChIKey of N-[4-(3-amino-4-hydroxyphenyl)-1,3-thiazol-2-yl]butane-1-sulfonamide?
The InChIKey is OTHDPAQOABEUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-2-3-6-21(18,19)16-13-15-11(8-20-13)9-4-5-12(17)10(14)7-9/h4-5,7-8,17H,2-3,6,14H2,1H3,(H,15,16).
What are the key properties of N-[4-(3-amino-4-hydroxyphenyl)-1,3-thiazol-2-yl]butane-1-sulfonamide?
N-[4-(3-amino-4-hydroxyphenyl)-1,3-thiazol-2-yl]butane-1-sulfonamide has a molecular weight of 327.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-4-hydroxyphenyl)-1,3-thiazol-2-yl]butane-1-sulfonamide is sourced from PubChem (CID 43603730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).