(4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid

C14H17NO6S — CID 53215677

IUPAC(4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cc(C(=O)N2CSC[C@H]2C(=O)O)cc(OC)c1OC
InChIInChI=1S/C14H17NO6S/c1-19-10-4-8(5-11(20-2)12(10)21-3)13(16)15-7-22-6-9(15)14(17)18/h4-5,9H,6-7H2,1-3H3,(H,17,18)/t9-/m0/s1
InChIKeyUSEHRHAZLPMADG-VIFPVBQESA-N
MW327.36 g/mol
LogP1.31
Rot. Bonds5

About (4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53215677) has the molecular formula C14H17NO6S and a molecular weight of 327.36 g/mol. Its IUPAC name is (4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID53215677
Molecular FormulaC14H17NO6S
Molecular Weight327.36 g/mol
Exact Mass327.08
IUPAC Name(4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cc(C(=O)N2CSC[C@H]2C(=O)O)cc(OC)c1OC
InChIInChI=1S/C14H17NO6S/c1-19-10-4-8(5-11(20-2)12(10)21-3)13(16)15-7-22-6-9(15)14(17)18/h4-5,9H,6-7H2,1-3H3,(H,17,18)/t9-/m0/s1
InChIKeyUSEHRHAZLPMADG-VIFPVBQESA-N
XLogP1.31
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-3-(3,5-dichloro-4-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144844
N-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744384
3-(3,5-dibromobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107971194
(4R)-3-(3-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 81127529
3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63184099
3-(4-bromo-2-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 113295957
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
thiaziridin-2-yl-(3,4,5-trimethoxyphenyl)methanone
CID 142936854
3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 114254983
3-(2-methoxy-5-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359327
3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide
CID 5226019
(2R)-1-(3-iodo-4,5-dimethoxybenzoyl)azetidine-2-carboxylic acid
CID 90823192

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 53215677) is (4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid is COc1cc(C(=O)N2CSC[C@H]2C(=O)O)cc(OC)c1OC.
What is the InChIKey of (4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is USEHRHAZLPMADG-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17NO6S/c1-19-10-4-8(5-11(20-2)12(10)21-3)13(16)15-7-22-6-9(15)14(17)18/h4-5,9H,6-7H2,1-3H3,(H,17,18)/t9-/m0/s1.
What are the key properties of (4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 327.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53215677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).