3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide

C18H26N2O3S — CID 42745323

IUPAC3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
SMILESCOCCNC(=O)C1CSCN1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H26N2O3S/c1-18(2,3)14-7-5-13(6-8-14)17(22)20-12-24-11-15(20)16(21)19-9-10-23-4/h5-8,15H,9-12H2,1-4H3,(H,19,21)
InChIKeyOTTWYJAUEKCQOW-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.26
Rot. Bonds5

About 3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide

3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42745323) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42745323
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
SMILESCOCCNC(=O)C1CSCN1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H26N2O3S/c1-18(2,3)14-7-5-13(6-8-14)17(22)20-12-24-11-15(20)16(21)19-9-10-23-4/h5-8,15H,9-12H2,1-4H3,(H,19,21)
InChIKeyOTTWYJAUEKCQOW-UHFFFAOYSA-N
XLogP2.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-tert-butylbenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119506268
3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237397
N-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744384
(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 93041089
methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate
CID 95297675
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide
CID 86891362
3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745326
4-[4-(tert-butylcarbamoyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183811
3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119507547
N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119407342
3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide
CID 51331976

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide (CID 42745323) is 3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide is COCCNC(=O)C1CSCN1C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is OTTWYJAUEKCQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-18(2,3)14-7-5-13(6-8-14)17(22)20-12-24-11-15(20)16(21)19-9-10-23-4/h5-8,15H,9-12H2,1-4H3,(H,19,21).
What are the key properties of 3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide?
3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 350.48 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).