3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide

C17H24N2O4S — CID 5226019

IUPAC3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CSCN1C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H24N2O4S/c1-5-18(6-2)17(21)13-10-24-11-19(13)16(20)12-7-8-14(22-3)15(9-12)23-4/h7-9,13H,5-6,10-11H2,1-4H3
InChIKeyRJQCPKOGWPXCGY-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.09
Rot. Bonds6

About 3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide

3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 5226019) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide
PubChem CID5226019
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CSCN1C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H24N2O4S/c1-5-18(6-2)17(21)13-10-24-11-19(13)16(20)12-7-8-14(22-3)15(9-12)23-4/h7-9,13H,5-6,10-11H2,1-4H3
InChIKeyRJQCPKOGWPXCGY-UHFFFAOYSA-N
XLogP2.09
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-(1,3-benzodioxole-5-carbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide
CID 95159279
(4S)-3-(1,3-benzodioxole-5-carbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide
CID 95159280
(4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 53215677
(4R)-N,N-diethyl-3-[2-(methoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide
CID 95569010
(4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 55941886
3-benzoyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 55511939
N-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744384
(4R)-3-(3-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 81127529
(4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144010
(4R)-N-ethyl-N-methyl-3-(6-propan-2-yloxypyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95302461
[3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 110441411
4-(3-bromo-4-methoxybenzoyl)thiomorpholine-3-carboxylic acid
CID 78980259

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide (CID 5226019) is 3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide is CCN(CC)C(=O)C1CSCN1C(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is RJQCPKOGWPXCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-5-18(6-2)17(21)13-10-24-11-19(13)16(20)12-7-8-14(22-3)15(9-12)23-4/h7-9,13H,5-6,10-11H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide?
3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 5226019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).