3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide

C18H26N2O2S — CID 42744854

IUPAC3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1C(CC(C)C)SCC1C(=O)NCCc1ccccc1
InChIInChI=1S/C18H26N2O2S/c1-13(2)11-17-20(14(3)21)16(12-23-17)18(22)19-10-9-15-7-5-4-6-8-15/h4-8,13,16-17H,9-12H2,1-3H3,(H,19,22)
InChIKeyVYMROXFKEUMCFU-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.68
Rot. Bonds6

About 3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide

3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744854) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744854
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1C(CC(C)C)SCC1C(=O)NCCc1ccccc1
InChIInChI=1S/C18H26N2O2S/c1-13(2)11-17-20(14(3)21)16(12-23-17)18(22)19-10-9-15-7-5-4-6-8-15/h4-8,13,16-17H,9-12H2,1-3H3,(H,19,22)
InChIKeyVYMROXFKEUMCFU-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42748190
2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42749149
N-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42744889
N-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42744888
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745083
3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745361
2-methylpropyl 2-(2-methylpropyl)-3-(3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylate
CID 4658197
3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745364
(2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 91982515
N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745097
N-butyl-3-(4-chlorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748224
3-(4-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748228

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide (CID 42744854) is 3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide is CC(=O)N1C(CC(C)C)SCC1C(=O)NCCc1ccccc1.
What is the InChIKey of 3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is VYMROXFKEUMCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-13(2)11-17-20(14(3)21)16(12-23-17)18(22)19-10-9-15-7-5-4-6-8-15/h4-8,13,16-17H,9-12H2,1-3H3,(H,19,22).
What are the key properties of 3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide?
3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).