(2R,4R)-2-[4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

C21H19NO3S — CID 1273319

IUPAC(2R,4R)-2-[4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CS[C@H](c2ccc(OCc3cccc4ccccc34)cc2)N1
InChIInChI=1S/C21H19NO3S/c23-21(24)19-13-26-20(22-19)15-8-10-17(11-9-15)25-12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,19-20,22H,12-13H2,(H,23,24)/t19-,20+/m0/s1
InChIKeyAHQVXIRYGVICJX-VQTJNVASSA-N
MW365.45 g/mol
LogP4.21
Rot. Bonds5

About (2R,4R)-2-[4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

(2R,4R)-2-[4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 1273319) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is (2R,4R)-2-[4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-[4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID1273319
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name(2R,4R)-2-[4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CS[C@H](c2ccc(OCc3cccc4ccccc34)cc2)N1
InChIInChI=1S/C21H19NO3S/c23-21(24)19-13-26-20(22-19)15-8-10-17(11-9-15)25-12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,19-20,22H,12-13H2,(H,23,24)/t19-,20+/m0/s1
InChIKeyAHQVXIRYGVICJX-VQTJNVASSA-N
XLogP4.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 51390894
(2S,4S)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1044848
2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 22332023
(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-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid
CID 3141767
2-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 17026692
2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 19577907
(2R,4S)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 7018530
(2R,4R)-2-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1044847
2-[3-[(2,6-dichlorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 19616029
CID 67883357
CID 67883357

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-[4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-2-[4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid (CID 1273319) is (2R,4R)-2-[4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-[4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-2-[4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CS[C@H](c2ccc(OCc3cccc4ccccc34)cc2)N1.
What is the InChIKey of (2R,4R)-2-[4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is AHQVXIRYGVICJX-VQTJNVASSA-N. The full InChI is InChI=1S/C21H19NO3S/c23-21(24)19-13-26-20(22-19)15-8-10-17(11-9-15)25-12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,19-20,22H,12-13H2,(H,23,24)/t19-,20+/m0/s1.
What are the key properties of (2R,4R)-2-[4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid?
(2R,4R)-2-[4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 365.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-[4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 1273319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).