(4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid

C16H21NO3S — CID 61143747

IUPAC(4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1c(C)c(C)c(C(=O)N2CSC[C@H]2C(=O)O)c(C)c1C
InChIInChI=1S/C16H21NO3S/c1-8-9(2)11(4)14(12(5)10(8)3)15(18)17-7-21-6-13(17)16(19)20/h13H,6-7H2,1-5H3,(H,19,20)/t13-/m0/s1
InChIKeyLRPJFPBNDWHTIU-ZDUSSCGKSA-N
MW307.42 g/mol
LogP2.83
Rot. Bonds2

About (4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61143747) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is (4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61143747
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name(4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1c(C)c(C)c(C(=O)N2CSC[C@H]2C(=O)O)c(C)c1C
InChIInChI=1S/C16H21NO3S/c1-8-9(2)11(4)14(12(5)10(8)3)15(18)17-7-21-6-13(17)16(19)20/h13H,6-7H2,1-5H3,(H,19,20)/t13-/m0/s1
InChIKeyLRPJFPBNDWHTIU-ZDUSSCGKSA-N
XLogP2.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 28742709
3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43209975
3-(2,6-difluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82814856
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359422
3-(4-propan-2-ylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 24693101
3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24692471
3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24711279
3-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62792239
3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43209977
3-acetyl-1,3-thiazolidine-4-carboxylic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 13254309
3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104772644

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 61143747) is (4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid is Cc1c(C)c(C)c(C(=O)N2CSC[C@H]2C(=O)O)c(C)c1C.
What is the InChIKey of (4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LRPJFPBNDWHTIU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-8-9(2)11(4)14(12(5)10(8)3)15(18)17-7-21-6-13(17)16(19)20/h13H,6-7H2,1-5H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 307.42 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61143747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).