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

C13H16N2O2S2 — CID 51106179

IUPACN-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
SMILESCc1ccc(-c2nc(CCNS(C)(=O)=O)cs2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-10-3-5-11(6-4-10)13-15-12(9-18-13)7-8-14-19(2,16)17/h3-6,9,14H,7-8H2,1-2H3
InChIKeyVTOXRUFZQAWBLB-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.21
Rot. Bonds5

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

N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide (PubChem CID 51106179) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
PubChem CID51106179
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
SMILESCc1ccc(-c2nc(CCNS(C)(=O)=O)cs2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-10-3-5-11(6-4-10)13-15-12(9-18-13)7-8-14-19(2,16)17/h3-6,9,14H,7-8H2,1-2H3
InChIKeyVTOXRUFZQAWBLB-UHFFFAOYSA-N
XLogP2.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide
CID 17478229
3,5-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1H-pyrazole-4-sulfonamide
CID 110317368
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 47093261
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide
CID 7518601
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333523
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide
CID 7518666
1-bromo-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
CID 7518657
1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317361
N-(ethylsulfamoyl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 110624843
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide (CID 51106179) is N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide is Cc1ccc(-c2nc(CCNS(C)(=O)=O)cs2)cc1.
What is the InChIKey of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide?
The InChIKey is VTOXRUFZQAWBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-10-3-5-11(6-4-10)13-15-12(9-18-13)7-8-14-19(2,16)17/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide?
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 51106179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).