2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

C22H24N2OS2 — CID 46581013

IUPAC2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1ccc(-c2nc(CSCC(=O)Nc3c(C)cc(C)cc3C)cs2)cc1
InChIInChI=1S/C22H24N2OS2/c1-14-5-7-18(8-6-14)22-23-19(12-27-22)11-26-13-20(25)24-21-16(3)9-15(2)10-17(21)4/h5-10,12H,11,13H2,1-4H3,(H,24,25)
InChIKeyRCMMQLAROYUHPU-UHFFFAOYSA-N
MW396.58 g/mol
LogP5.92
Rot. Bonds6

About 2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 46581013) has the molecular formula C22H24N2OS2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID46581013
Molecular FormulaC22H24N2OS2
Molecular Weight396.58 g/mol
Exact Mass396.13
IUPAC Name2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1ccc(-c2nc(CSCC(=O)Nc3c(C)cc(C)cc3C)cs2)cc1
InChIInChI=1S/C22H24N2OS2/c1-14-5-7-18(8-6-14)22-23-19(12-27-22)11-26-13-20(25)24-21-16(3)9-15(2)10-17(21)4/h5-10,12H,11,13H2,1-4H3,(H,24,25)
InChIKeyRCMMQLAROYUHPU-UHFFFAOYSA-N
XLogP5.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38627971
N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 55570763
N-cyclopropyl-3-[[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide
CID 46581107
methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
CID 9339628
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51204701
N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38629529
N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 84603565
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8870071
(2S,3S)-1,4-bis[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]butane-2,3-diol
CID 98082805
2-[(4-bromophenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 1248119
N-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 99192094
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 20965754

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide (CID 46581013) is 2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1ccc(-c2nc(CSCC(=O)Nc3c(C)cc(C)cc3C)cs2)cc1.
What is the InChIKey of 2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is RCMMQLAROYUHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS2/c1-14-5-7-18(8-6-14)22-23-19(12-27-22)11-26-13-20(25)24-21-16(3)9-15(2)10-17(21)4/h5-10,12H,11,13H2,1-4H3,(H,24,25).
What are the key properties of 2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 396.58 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 46581013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).