(4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid

C12H13F2NO4S — CID 61147260

IUPAC(4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(C2N[C@H](C(=O)O)CS2)cc1OC(F)F
InChIInChI=1S/C12H13F2NO4S/c1-18-8-3-2-6(4-9(8)19-12(13)14)10-15-7(5-20-10)11(16)17/h2-4,7,10,12,15H,5H2,1H3,(H,16,17)/t7-,10?/m0/s1
InChIKeyIYGPVWGUEZNLQN-BYDSUWOYSA-N
MW305.30 g/mol
LogP2.08
Rot. Bonds5

About (4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61147260) has the molecular formula C12H13F2NO4S and a molecular weight of 305.30 g/mol. Its IUPAC name is (4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61147260
Molecular FormulaC12H13F2NO4S
Molecular Weight305.30 g/mol
Exact Mass305.05
IUPAC Name(4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(C2N[C@H](C(=O)O)CS2)cc1OC(F)F
InChIInChI=1S/C12H13F2NO4S/c1-18-8-3-2-6(4-9(8)19-12(13)14)10-15-7(5-20-10)11(16)17/h2-4,7,10,12,15H,5H2,1H3,(H,16,17)/t7-,10?/m0/s1
InChIKeyIYGPVWGUEZNLQN-BYDSUWOYSA-N
XLogP2.08
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6610558
(2S,4S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 721363
(2R,4S)-2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 854335
(2S,4S)-2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 689537
(2S,4S)-2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 854334
2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 4037304
(2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 703230
(2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728198
(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 19576217
(2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 7308785
2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2827730

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid (CID 61147260) is (4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid is COc1ccc(C2N[C@H](C(=O)O)CS2)cc1OC(F)F.
What is the InChIKey of (4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IYGPVWGUEZNLQN-BYDSUWOYSA-N. The full InChI is InChI=1S/C12H13F2NO4S/c1-18-8-3-2-6(4-9(8)19-12(13)14)10-15-7(5-20-10)11(16)17/h2-4,7,10,12,15H,5H2,1H3,(H,16,17)/t7-,10?/m0/s1.
What are the key properties of (4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 305.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61147260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).