methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium

C22H26N3OS+ — CID 9339628

IUPACmethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
SMILESCc1cc(C)c(NC(=O)C[NH+](C)Cc2csc(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C22H25N3OS/c1-15-10-16(2)21(17(3)11-15)24-20(26)13-25(4)12-19-14-27-22(23-19)18-8-6-5-7-9-18/h5-11,14H,12-13H2,1-4H3,(H,24,26)/p+1
InChIKeyKZWJJFLGHCPBID-UHFFFAOYSA-O
MW380.54 g/mol
LogP3.39
Rot. Bonds6

About methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium

methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium (PubChem CID 9339628) has the molecular formula C22H26N3OS+ and a molecular weight of 380.54 g/mol. Its IUPAC name is methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium.

Molecular Properties

Compound Namemethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
PubChem CID9339628
Molecular FormulaC22H26N3OS+
Molecular Weight380.54 g/mol
Exact Mass380.18
IUPAC Namemethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
SMILESCc1cc(C)c(NC(=O)C[NH+](C)Cc2csc(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C22H25N3OS/c1-15-10-16(2)21(17(3)11-15)24-20(26)13-25(4)12-19-14-27-22(23-19)18-8-6-5-7-9-18/h5-11,14H,12-13H2,1-4H3,(H,24,26)/p+1
InChIKeyKZWJJFLGHCPBID-UHFFFAOYSA-O
XLogP3.39
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium with MolForge

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Related Compounds

[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
CID 9287322
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51204701
2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46581013
methyl-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8710563
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8870071
[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8913410
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9223876
methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9338626
methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9255254
methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9103197
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8964695
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054938

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium?
The IUPAC name of methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium (CID 9339628) is methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium.
What is the SMILES notation for methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium?
The canonical SMILES for methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium is Cc1cc(C)c(NC(=O)C[NH+](C)Cc2csc(-c3ccccc3)n2)c(C)c1.
What is the InChIKey of methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium?
The InChIKey is KZWJJFLGHCPBID-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H25N3OS/c1-15-10-16(2)21(17(3)11-15)24-20(26)13-25(4)12-19-14-27-22(23-19)18-8-6-5-7-9-18/h5-11,14H,12-13H2,1-4H3,(H,24,26)/p+1.
What are the key properties of methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium?
methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium has a molecular weight of 380.54 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium is sourced from PubChem (CID 9339628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).