N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide

C12H14N2O3S2 — CID 110393596

IUPACN-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1nc(-c2ccc(O)cc2)cs1
InChIInChI=1S/C12H14N2O3S2/c1-19(16,17)13-7-6-12-14-11(8-18-12)9-2-4-10(15)5-3-9/h2-5,8,13,15H,6-7H2,1H3
InChIKeyDUDFQHNBOWFMGA-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.61
Rot. Bonds5

About N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide

N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide (PubChem CID 110393596) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide
PubChem CID110393596
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC NameN-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1nc(-c2ccc(O)cc2)cs1
InChIInChI=1S/C12H14N2O3S2/c1-19(16,17)13-7-6-12-14-11(8-18-12)9-2-4-10(15)5-3-9/h2-5,8,13,15H,6-7H2,1H3
InChIKeyDUDFQHNBOWFMGA-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide
CID 17478229
N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 24603193
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773762
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,6-dimethoxybenzamide
CID 110393552
4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393547
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide
CID 71691448
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 110441243
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 110393578
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110393734
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 110393720
[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid
CID 146469372
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol
CID 53391458

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide (CID 110393596) is N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCc1nc(-c2ccc(O)cc2)cs1.
What is the InChIKey of N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide?
The InChIKey is DUDFQHNBOWFMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-19(16,17)13-7-6-12-14-11(8-18-12)9-2-4-10(15)5-3-9/h2-5,8,13,15H,6-7H2,1H3.
What are the key properties of N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide?
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 110393596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).