N-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide

C17H24N2O6S — CID 42744384

IUPACN-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOCCNC(=O)C1CSCN1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H24N2O6S/c1-22-6-5-18-16(20)12-9-26-10-19(12)17(21)11-7-13(23-2)15(25-4)14(8-11)24-3/h7-8,12H,5-6,9-10H2,1-4H3,(H,18,20)
InChIKeyKBAJNNKYDCMUSM-UHFFFAOYSA-N
MW384.45 g/mol
LogP0.99
Rot. Bonds8

About N-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide

N-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744384) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744384
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC NameN-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOCCNC(=O)C1CSCN1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H24N2O6S/c1-22-6-5-18-16(20)12-9-26-10-19(12)17(21)11-7-13(23-2)15(25-4)14(8-11)24-3/h7-8,12H,5-6,9-10H2,1-4H3,(H,18,20)
InChIKeyKBAJNNKYDCMUSM-UHFFFAOYSA-N
XLogP0.99
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 53215677
3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
CID 42745323
N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(3,5-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745740
N-(2-methoxyethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295127
N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 113003294
3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55545581
(4R)-3-(3,5-dichloro-4-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144844
(4S)-3-(3-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 50831297
3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide
CID 5226019
3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 55511876
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
thiaziridin-2-yl-(3,4,5-trimethoxyphenyl)methanone
CID 142936854

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide (CID 42744384) is N-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide is COCCNC(=O)C1CSCN1C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is KBAJNNKYDCMUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-22-6-5-18-16(20)12-9-26-10-19(12)17(21)11-7-13(23-2)15(25-4)14(8-11)24-3/h7-8,12H,5-6,9-10H2,1-4H3,(H,18,20).
What are the key properties of N-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
N-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 0.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).