2-[(2S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid

C21H18F3NO4S — CID 165458874

IUPAC2-[(2S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid
SMILESO=C(O)CC1CS[C@@H](C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H18F3NO4S/c22-21(23,24)19-25(12(11-30-19)9-18(26)27)20(28)29-10-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17,19H,9-11H2,(H,26,27)/t12?,19-/m0/s1
InChIKeyYSTCCFVQKQYYGU-RKLCOFROSA-N
MW437.44 g/mol
LogP4.72
Rot. Bonds4

About 2-[(2S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid

2-[(2S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid (PubChem CID 165458874) has the molecular formula C21H18F3NO4S and a molecular weight of 437.44 g/mol. Its IUPAC name is 2-[(2S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid
PubChem CID165458874
Molecular FormulaC21H18F3NO4S
Molecular Weight437.44 g/mol
Exact Mass437.09
IUPAC Name2-[(2S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid
SMILESO=C(O)CC1CS[C@@H](C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H18F3NO4S/c22-21(23,24)19-25(12(11-30-19)9-18(26)27)20(28)29-10-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17,19H,9-11H2,(H,26,27)/t12?,19-/m0/s1
InChIKeyYSTCCFVQKQYYGU-RKLCOFROSA-N
XLogP4.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid with MolForge

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Related Compounds

2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-2H-quinolin-2-yl]acetic acid
CID 132771919
(2R,3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 171338123
9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 178195231
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid
CID 165452018
(3R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 75525905
3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]-3,3-difluoropropanoic acid
CID 167724441
2-[(2S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypyrrolidin-2-yl]acetic acid
CID 155821603
9H-fluoren-9-ylmethyl 3-oxo-4-(trifluoromethyl)-8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate
CID 171937011
3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 165476474
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylazetidine-2-carboxylic acid
CID 154704783
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid
CID 53394998

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid?
The IUPAC name of 2-[(2S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid (CID 165458874) is 2-[(2S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[(2S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid is O=C(O)CC1CS[C@@H](C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[(2S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid?
The InChIKey is YSTCCFVQKQYYGU-RKLCOFROSA-N. The full InChI is InChI=1S/C21H18F3NO4S/c22-21(23,24)19-25(12(11-30-19)9-18(26)27)20(28)29-10-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17,19H,9-11H2,(H,26,27)/t12?,19-/m0/s1.
What are the key properties of 2-[(2S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid?
2-[(2S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid has a molecular weight of 437.44 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid is sourced from PubChem (CID 165458874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).