(4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid

C13H17NO3S — CID 43831490

IUPAC(4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)Oc1ccccc1C1N[C@@H](C(=O)O)CS1
InChIInChI=1S/C13H17NO3S/c1-8(2)17-11-6-4-3-5-9(11)12-14-10(7-18-12)13(15)16/h3-6,8,10,12,14H,7H2,1-2H3,(H,15,16)/t10-,12?/m1/s1
InChIKeyZJDOVGPDRKBVER-RWANSRKNSA-N
MW267.35 g/mol
LogP2.26
Rot. Bonds4

About (4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid

(4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43831490) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is (4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43831490
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name(4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)Oc1ccccc1C1N[C@@H](C(=O)O)CS1
InChIInChI=1S/C13H17NO3S/c1-8(2)17-11-6-4-3-5-9(11)12-14-10(7-18-12)13(15)16/h3-6,8,10,12,14H,7H2,1-2H3,(H,15,16)/t10-,12?/m1/s1
InChIKeyZJDOVGPDRKBVER-RWANSRKNSA-N
XLogP2.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 24697394
(4R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 22827572
2-(2-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2732724
(2S,4S)-2-(3-ethoxy-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 866464
2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid
CID 3141767
(2R,4R)-2-(2,3-dihydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 686230
2-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 53270178
2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2827730
(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6610558
(2S,4S)-2-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 40574393
(2S,4S)-2-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728174

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 43831490) is (4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid is CC(C)Oc1ccccc1C1N[C@@H](C(=O)O)CS1.
What is the InChIKey of (4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZJDOVGPDRKBVER-RWANSRKNSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-8(2)17-11-6-4-3-5-9(11)12-14-10(7-18-12)13(15)16/h3-6,8,10,12,14H,7H2,1-2H3,(H,15,16)/t10-,12?/m1/s1.
What are the key properties of (4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43831490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).