3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid

C19H26N2O4S — CID 119237397

IUPAC3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C19H26N2O4S/c1-12(18(24)25)9-20-16(22)15-10-26-11-21(15)17(23)13-5-7-14(8-6-13)19(2,3)4/h5-8,12,15H,9-11H2,1-4H3,(H,20,22)(H,24,25)
InChIKeyZHHZRAFFNKZGDD-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.34
Rot. Bonds5

About 3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid

3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 119237397) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
PubChem CID119237397
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C19H26N2O4S/c1-12(18(24)25)9-20-16(22)15-10-26-11-21(15)17(23)13-5-7-14(8-6-13)19(2,3)4/h5-8,12,15H,9-11H2,1-4H3,(H,20,22)(H,24,25)
InChIKeyZHHZRAFFNKZGDD-UHFFFAOYSA-N
XLogP2.34
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid with MolForge

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Related Compounds

(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 93041089
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
CID 42745323
3-(4-tert-butylbenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119506268
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
(4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide
CID 97082517
3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745326
3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237232
4-[4-(tert-butylcarbamoyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183811
3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide
CID 86891362
methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate
CID 95297675
3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid
CID 55105588

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid (CID 119237397) is 3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid is CC(CNC(=O)C1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)C(=O)O.
What is the InChIKey of 3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is ZHHZRAFFNKZGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-12(18(24)25)9-20-16(22)15-10-26-11-21(15)17(23)13-5-7-14(8-6-13)19(2,3)4/h5-8,12,15H,9-11H2,1-4H3,(H,20,22)(H,24,25).
What are the key properties of 3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid?
3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 378.49 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 119237397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).