N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide

C12H14N2O3S2 — CID 103847923

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCc2ccc(O)cc2)s1
InChIInChI=1S/C12H14N2O3S2/c1-9-13-8-12(18-9)19(16,17)14-7-6-10-2-4-11(15)5-3-10/h2-5,8,14-15H,6-7H2,1H3
InChIKeyLOHMZSSKDFCKNH-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.68
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide

N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103847923) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103847923
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCc2ccc(O)cc2)s1
InChIInChI=1S/C12H14N2O3S2/c1-9-13-8-12(18-9)19(16,17)14-7-6-10-2-4-11(15)5-3-10/h2-5,8,14-15H,6-7H2,1H3
InChIKeyLOHMZSSKDFCKNH-UHFFFAOYSA-N
XLogP1.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847901
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 103862594
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847443
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847995
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386
N-(3-chlorobutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415939
2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120716098
N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 54903976
5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 106267494
N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847938
N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414895
6-hydrazinyl-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-sulfonamide
CID 61237307

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide (CID 103847923) is N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCCc2ccc(O)cc2)s1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is LOHMZSSKDFCKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-9-13-8-12(18-9)19(16,17)14-7-6-10-2-4-11(15)5-3-10/h2-5,8,14-15H,6-7H2,1H3.
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide?
N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103847923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).