N-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide

C12H14N2O3S2 — CID 103847443

IUPACN-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(CCO)cc2)s1
InChIInChI=1S/C12H14N2O3S2/c1-9-13-8-12(18-9)19(16,17)14-11-4-2-10(3-5-11)6-7-15/h2-5,8,14-15H,6-7H2,1H3
InChIKeyWWKCJGFEQAOECD-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.79
Rot. Bonds5

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

N-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103847443) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103847443
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(CCO)cc2)s1
InChIInChI=1S/C12H14N2O3S2/c1-9-13-8-12(18-9)19(16,17)14-11-4-2-10(3-5-11)6-7-15/h2-5,8,14-15H,6-7H2,1H3
InChIKeyWWKCJGFEQAOECD-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US12384753, Example 36
CID 167476828
2-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427478
2-chloro-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427481
2-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 71847211
2-Fluoro-5-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarbothioamide
CID 103414656
3-Fluoro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarbothioamide
CID 103414702
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415450
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415463
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415515
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415536
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415554
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415599

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide (CID 103847443) is N-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2ccc(CCO)cc2)s1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is WWKCJGFEQAOECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-9-13-8-12(18-9)19(16,17)14-11-4-2-10(3-5-11)6-7-15/h2-5,8,14-15H,6-7H2,1H3.
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide?
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103847443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).