[(4S)-4-[[(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]pentyl]-diethylazanium

C21H34N3O2S+ — CID 7356720

IUPAC[(4S)-4-[[(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]pentyl]-diethylazanium
SMILESCC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CS[C@H](c2ccccc2)N1C(C)=O
InChIInChI=1S/C21H33N3O2S/c1-5-23(6-2)14-10-11-16(3)22-20(26)19-15-27-21(24(19)17(4)25)18-12-8-7-9-13-18/h7-9,12-13,16,19,21H,5-6,10-11,14-15H2,1-4H3,(H,22,26)/p+1/t16-,19-,21+/m0/s1
InChIKeyVTTZXYGNBSGZJV-NBHGPNQESA-O
MW392.59 g/mol
LogP1.86
Rot. Bonds9

About [(4S)-4-[[(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]pentyl]-diethylazanium

[(4S)-4-[[(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]pentyl]-diethylazanium (PubChem CID 7356720) has the molecular formula C21H34N3O2S+ and a molecular weight of 392.59 g/mol. Its IUPAC name is [(4S)-4-[[(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]pentyl]-diethylazanium.

Molecular Properties

Compound Name[(4S)-4-[[(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]pentyl]-diethylazanium
PubChem CID7356720
Molecular FormulaC21H34N3O2S+
Molecular Weight392.59 g/mol
Exact Mass392.24
IUPAC Name[(4S)-4-[[(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]pentyl]-diethylazanium
SMILESCC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CS[C@H](c2ccccc2)N1C(C)=O
InChIInChI=1S/C21H33N3O2S/c1-5-23(6-2)14-10-11-16(3)22-20(26)19-15-27-21(24(19)17(4)25)18-12-8-7-9-13-18/h7-9,12-13,16,19,21H,5-6,10-11,14-15H2,1-4H3,(H,22,26)/p+1/t16-,19-,21+/m0/s1
InChIKeyVTTZXYGNBSGZJV-NBHGPNQESA-O
XLogP1.86
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(4S)-4-[[(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]pentyl]-diethylazanium with MolForge

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Related Compounds

(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 759136
3-acetyl-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42744974
(2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 809786
N-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 42744403
(2R,4R)-3-butanoyl-2-(3-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 6961863
3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744972
3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42744957
3-benzoyl-2-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42743856
3-acetyl-2-(2-deuteriophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 139903120
3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744425
(4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 70682717
(2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 7323796

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-[[(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]pentyl]-diethylazanium?
The IUPAC name of [(4S)-4-[[(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]pentyl]-diethylazanium (CID 7356720) is [(4S)-4-[[(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]pentyl]-diethylazanium.
What is the SMILES notation for [(4S)-4-[[(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]pentyl]-diethylazanium?
The canonical SMILES for [(4S)-4-[[(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]pentyl]-diethylazanium is CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CS[C@H](c2ccccc2)N1C(C)=O.
What is the InChIKey of [(4S)-4-[[(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]pentyl]-diethylazanium?
The InChIKey is VTTZXYGNBSGZJV-NBHGPNQESA-O. The full InChI is InChI=1S/C21H33N3O2S/c1-5-23(6-2)14-10-11-16(3)22-20(26)19-15-27-21(24(19)17(4)25)18-12-8-7-9-13-18/h7-9,12-13,16,19,21H,5-6,10-11,14-15H2,1-4H3,(H,22,26)/p+1/t16-,19-,21+/m0/s1.
What are the key properties of [(4S)-4-[[(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]pentyl]-diethylazanium?
[(4S)-4-[[(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]pentyl]-diethylazanium has a molecular weight of 392.59 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-[[(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]pentyl]-diethylazanium is sourced from PubChem (CID 7356720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).