N-[4-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide

C20H22N2O2S2 — CID 8891148

IUPACN-[4-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
SMILESCCN(c1ccc(-c2csc(-c3ccc(C)cc3C)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C20H22N2O2S2/c1-5-22(26(4,23)24)17-9-7-16(8-10-17)19-13-25-20(21-19)18-11-6-14(2)12-15(18)3/h6-13H,5H2,1-4H3
InChIKeyCHHGVOLLLVAIOQ-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.88
Rot. Bonds5

About N-[4-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide

N-[4-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide (PubChem CID 8891148) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[4-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
PubChem CID8891148
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC NameN-[4-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
SMILESCCN(c1ccc(-c2csc(-c3ccc(C)cc3C)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C20H22N2O2S2/c1-5-22(26(4,23)24)17-9-7-16(8-10-17)19-13-25-20(21-19)18-11-6-14(2)12-15(18)3/h6-13H,5H2,1-4H3
InChIKeyCHHGVOLLLVAIOQ-UHFFFAOYSA-N
XLogP4.88
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
CID 9173901
N-ethyl-N-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 47027508
N-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
CID 166184350
N-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 31263059
4-[2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 107915325
2-(4-ethyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 86217272
4-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 103083651
1,1-diethyl-3-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]urea
CID 108738416
N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide
CID 17478229
2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol
CID 116889620
4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 60620529
2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 2798615

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[4-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide (CID 8891148) is N-[4-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[4-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[4-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide is CCN(c1ccc(-c2csc(-c3ccc(C)cc3C)n2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide?
The InChIKey is CHHGVOLLLVAIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-5-22(26(4,23)24)17-9-7-16(8-10-17)19-13-25-20(21-19)18-11-6-14(2)12-15(18)3/h6-13H,5H2,1-4H3.
What are the key properties of N-[4-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide?
N-[4-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide has a molecular weight of 386.54 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 8891148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).