dimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium

C21H24N3OS+ — CID 2425714

IUPACdimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium
SMILESC[NH+](C)[C@@H](CNC(=O)Cc1csc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C21H23N3OS/c1-24(2)19(16-9-5-3-6-10-16)14-22-20(25)13-18-15-26-21(23-18)17-11-7-4-8-12-17/h3-12,15,19H,13-14H2,1-2H3,(H,22,25)/p+1/t19-/m0/s1
InChIKeyWHWQLYTWLXBJBU-IBGZPJMESA-O
MW366.51 g/mol
LogP2.35
Rot. Bonds7

About dimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium

dimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium (PubChem CID 2425714) has the molecular formula C21H24N3OS+ and a molecular weight of 366.51 g/mol. Its IUPAC name is dimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium
PubChem CID2425714
Molecular FormulaC21H24N3OS+
Molecular Weight366.51 g/mol
Exact Mass366.16
IUPAC Namedimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium
SMILESC[NH+](C)[C@@H](CNC(=O)Cc1csc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C21H23N3OS/c1-24(2)19(16-9-5-3-6-10-16)14-22-20(25)13-18-15-26-21(23-18)17-11-7-4-8-12-17/h3-12,15,19H,13-14H2,1-2H3,(H,22,25)/p+1/t19-/m0/s1
InChIKeyWHWQLYTWLXBJBU-IBGZPJMESA-O
XLogP2.35
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 43006465
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 40819121
N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 4800325
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 112809788
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
[(1S)-2-[[2-(4-bromophenyl)acetyl]amino]-1-phenylethyl]-dimethylazanium
CID 2098274
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 32978171
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 55574676
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-phenylpropyl)acetamide
CID 43017112
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 9457086
methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate
CID 7833140

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium?
The IUPAC name of dimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium (CID 2425714) is dimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium.
What is the SMILES notation for dimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium?
The canonical SMILES for dimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium is C[NH+](C)[C@@H](CNC(=O)Cc1csc(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of dimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium?
The InChIKey is WHWQLYTWLXBJBU-IBGZPJMESA-O. The full InChI is InChI=1S/C21H23N3OS/c1-24(2)19(16-9-5-3-6-10-16)14-22-20(25)13-18-15-26-21(23-18)17-11-7-4-8-12-17/h3-12,15,19H,13-14H2,1-2H3,(H,22,25)/p+1/t19-/m0/s1.
What are the key properties of dimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium?
dimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium has a molecular weight of 366.51 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium is sourced from PubChem (CID 2425714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).