(4S)-2-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

C14H19NO4S — CID 2801831

IUPAC(4S)-2-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(OC)c(C2N[C@@H](C(=O)O)C(C)(C)S2)c1
InChIInChI=1S/C14H19NO4S/c1-14(2)11(13(16)17)15-12(20-14)9-7-8(18-3)5-6-10(9)19-4/h5-7,11-12,15H,1-4H3,(H,16,17)/t11-,12?/m0/s1
InChIKeyBENWLDALGAZKCJ-PXYINDEMSA-N
MW297.38 g/mol
LogP2.27
Rot. Bonds4

About (4S)-2-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

(4S)-2-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 2801831) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is (4S)-2-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID2801831
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name(4S)-2-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(OC)c(C2N[C@@H](C(=O)O)C(C)(C)S2)c1
InChIInChI=1S/C14H19NO4S/c1-14(2)11(13(16)17)15-12(20-14)9-7-8(18-3)5-6-10(9)19-4/h5-7,11-12,15H,1-4H3,(H,16,17)/t11-,12?/m0/s1
InChIKeyBENWLDALGAZKCJ-PXYINDEMSA-N
XLogP2.27
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4S)-2-(2-hydroxy-4-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 7021328
2-(2-hydroxy-4-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 2737755
2-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 53270631
2,6-bis(2,5-dimethoxyphenyl)-3,4,5-trimethylpiperidin-4-ol;oxalic acid
CID 126476640
(4S)-5,5-dimethyl-2-[4-(methylamino)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 164880456
(4S)-5,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 11837459
4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 63938447
2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2827730
4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 42656960
(4R,6S)-4-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 908984
cis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 178197757
1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 7262533

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 2801831) is (4S)-2-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is COc1ccc(OC)c(C2N[C@@H](C(=O)O)C(C)(C)S2)c1.
What is the InChIKey of (4S)-2-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BENWLDALGAZKCJ-PXYINDEMSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-14(2)11(13(16)17)15-12(20-14)9-7-8(18-3)5-6-10(9)19-4/h5-7,11-12,15H,1-4H3,(H,16,17)/t11-,12?/m0/s1.
What are the key properties of (4S)-2-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 2801831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).